N-(2-(4-Carbomethoxyphenyl)-1-methylethyl)-2-hydroxy-2-(3-trifluoromethylphenyl) ethanamine (HCID 14823030)

기본 정보

표준 SMILES: COC(=O)c1ccc(CC(C)NCC(O)c2cccc(C(F)(F)F)c2)cc1
InChIKey: LXHIPSGJZSMYQG-UHFFFAOYSA-N
분자식: C20H22F3NO3
평균 분자량: 381.4 g/mol

이름 및 식별자

우선 이름: N-(2-(4-Carbomethoxyphenyl)-1-methylethyl)-2-hydroxy-2-(3-trifluoromethylphenyl) ethanamine
IUPAC: methyl 4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]benzoate

이름 및 동의어

CHEMBL582748SCHEMBL9007077TCMDC-131435TCMDC-131438methyl 4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]benzoateN-(2-(4-Carbomethoxyphenyl)-1-methylethyl)-2-hydroxy-2-(3-trifluoromethylphenyl) ethanamine

데이터베이스 식별자

PubChem CID: 14823030
ChEMBL: CHEMBL582748

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 58.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 8
무거운 원자 수: 27
형식 전하: 0
복잡도: 464

화합물 노트

불러오는 중…