2-(4-Amino-3-chloro-5-trifluoromethylphenyl)-2-tert-butylaminoethanol

HCID 9997789

기본 정보

표준 SMILES
CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1
InChIKey
SWCKXUXUVUSMDI-UHFFFAOYSA-N
분자식
C13H18ClF3N2O
평균 분자량
310.74 g/mol

이름 및 식별자

우선 이름
2-(4-Amino-3-chloro-5-trifluoromethylphenyl)-2-tert-butylaminoethanol
IUPAC
2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol

이름 및 동의어

CHEMBL48745112-(4-amino-3-chloro-5-trifluoromethylphenyl)-2-tert-butylaminoethanolSCHEMBL3175008BDBM50569859L0220822-(4-amino-3-chloro-5-trifluoromethylphenyl)-2-t-butylamino-ethanol(+)-2-(3-chloro-4-amino-5-trifluoromethylphenyl)-2-tert-butylamino-ethanol(-)-2-(3-chloro-4-amino-5-trifluoromethylphenyl)-2-tert-butylamino-ethanol2-(3-chloro-4-amino-5-trifluoromethyl-phenyl)-2-tert-butylaminoethanol2-(3-chloro-4-amino-5-trifluoromethylphenyl)-2-tert-butylamino-ethanol2-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-2-tert-butylamino-ethanol

데이터베이스 식별자

PubChem CID
9997789
ChEMBL
CHEMBL4874511
Nikkaji
J1.883.143K、J3.255.599C、J3.255.600K

물성

구조 계산 물성

XLogP
2.5
극성 표면적
58.3 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
20

관련 반응

4건

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