2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline

C16H15ClF3N — CID 43121812

IUPAC2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline
SMILESCC(CNc1c(Cl)cccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15ClF3N/c1-11(12-6-3-2-4-7-12)10-21-15-13(16(18,19)20)8-5-9-14(15)17/h2-9,11,21H,10H2,1H3
InChIKeyYZCGRXVGJCYGNA-UHFFFAOYSA-N
MW313.75 g/mol
LogP5.57
Rot. Bonds4

About 2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline

2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline (PubChem CID 43121812) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline
PubChem CID43121812
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline
SMILESCC(CNc1c(Cl)cccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15ClF3N/c1-11(12-6-3-2-4-7-12)10-21-15-13(16(18,19)20)8-5-9-14(15)17/h2-9,11,21H,10H2,1H3
InChIKeyYZCGRXVGJCYGNA-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.75
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(2-methylpentyl)-6-(trifluoromethyl)aniline
CID 43121811
2-chloro-N-(2,2-diethoxyethyl)-6-(trifluoromethyl)aniline
CID 81094009
1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol
CID 63931718
2,6-dichloro-N-(3-phenylbutyl)aniline
CID 65469702
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414844
2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol
CID 28950675
2-chloro-N-[(3-propan-2-ylimidazol-4-yl)methyl]-6-(trifluoromethyl)aniline
CID 66131876
5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline
CID 107286537
2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene
CID 131992955
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
2-chloro-N-(1-pyridin-3-ylethyl)-6-(trifluoromethyl)aniline
CID 43121834
2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine
CID 117347970

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline (CID 43121812) is 2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline is CC(CNc1c(Cl)cccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline?
The InChIKey is YZCGRXVGJCYGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-11(12-6-3-2-4-7-12)10-21-15-13(16(18,19)20)8-5-9-14(15)17/h2-9,11,21H,10H2,1H3.
What are the key properties of 2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline?
2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline has a molecular weight of 313.75 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline is sourced from PubChem (CID 43121812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).