(alphaR)-alpha-[(1S)-2-(Dimethylamino)-1-methylethyl]-alpha-ethyl-3-methoxybenzenemethanol

HCID 9942979CAS 809282-20-0

기본 정보

표준 SMILES: CC[C@](O)(c1cccc(OC)c1)[C@@H](C)CN(C)C
InChIKey: PZNRRUTVGXCKFC-SWLSCSKDSA-N
분자식: C15H25NO2
평균 분자량: 251.36 g/mol
단동위원소 질량: 251.18852904

이름 및 식별자

우선 이름: (alphaR)-alpha-[(1S)-2-(Dimethylamino)-1-methylethyl]-alpha-ethyl-3-methoxybenzenemethanol
IUPAC: (2S,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
영어명: (2S,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
분자식: C15H25NO2
분자량: 251.36

이름 및 동의어

(alphaR)-alpha-[(1S)-2-(Dimethylamino)-1-methylethyl]-alpha-ethyl-3-methoxybenzenemethanol(alphaR)-alpha-((1S)-2-(Dimethylamino)-1-methylethyl)-alpha-ethyl-3-methoxybenzenemethanolRefChem:405704(2S,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-olMFCD18207018(2S,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol9LYD9Y2QUYSCHEMBL669921(2S,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methyl pentan-3-olPZNRRUTVGXCKFC-SWLSCSKDSA-NCS-M0175JHB28220

이름 더 보기

(2S,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpe(2S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol(2S,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan...(2R,3S)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol(2S,3S)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol(2S ,3R)-1 -(Dimethylamino}-3-(3-methoxyphenyl)-2-methylpentan-3-01(2R,3S)-1-(DiMethylaMino)-3-(3-Methoxyphenyl)-2-Methyl-3-pentanol hydrochlorideBenzenemethanol, α-[(1S)-2-(dimethylamino)-1-methylethyl]-α-ethyl-3-methoxy-, (αR)-

AKOS025401813AC-25871AS-30124(2S,3R)-1-dimethylamino-3-(3-methoxyphenyl)-2-methylpentan-3-ol(2S, 3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methyl-pentan-3-ol(2S,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methyl-pentan-3-ol1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol, (2S,3R)-(|_R)-|_-[(1S)-2-(Dimethylamino)-1-methylethyl]-|_-ethyl-3-methoxybenzenemethanol

데이터베이스 식별자

CAS: 809282-20-0
PubChem CID: 9942979
UNII: 9LYD9Y2QUY

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 32.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 18
형식 전하: 0
복잡도: 245

물리화학적 성질

끓는 점: 362.9 · 362.9±37.0 °C(Predicted)
밀도: 1 · 1.000
저장 조건: Sealed in dry,Room Temperature
물리적 상태: Solid:crystalline
산도 계수 (pKa): 14.27 · 14.27±0.29(Predicted)
InChI: InChI=1/C15H25NO2/c1-6-15(17,12(2)11-16(3)4)13-8-7-9-14(10-13)18-5/h7-10,12,17H,6,11H2,1-5H3/t12-,15+/s3
InChIKey: PZNRRUTVGXCKFC-GHLNEVLRNA-N
SMILES: C(N(C)C)[C@H](C)[C@](C1=CC=CC(OC)=C1)(O)CC |&1:4,6,r|