기본 정보
- 표준 SMILES
CCN1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1- InChIKey
ZYWCDXFRHUHFNV-UHFFFAOYSA-N- 분자식
- C14H20F3N3
- 평균 분자량
- 287.32 g/mol
- 단동위원소 질량
- 287.16093214
이름 및 식별자
- 우선 이름
- 4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline
- IUPAC
- 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
이름 및 동의어
630125-91-64-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilineMFCD09909923C14H20F3N34-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)anilineBenzenamine, 4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-benzenamine4-(4-Ethylpiperazin-1-ylmethyl)-3-trifluoromethylaniline4-(4-ethyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenylamine4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzenamineSCHEMBL1279087
이름 더 보기
SCHEMBL2235330CHEMBL4211518ZYWCDXFRHUHFNV-UHFFFAOYSA-NCS-M1925AKOS017556622DS-8655SY115215DB-366862
데이터베이스 식별자
- PubChem CID
- 59134564
- ChEMBL
CHEMBL4211518
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 32.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 301
관련 반응
18건
화합물 노트
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