2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline

C16H15ClF3N — CID 43714518

IUPAC2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline
SMILESCC(CNc1ccc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H15ClF3N/c1-11(12-5-3-2-4-6-12)10-21-15-8-7-13(9-14(15)17)16(18,19)20/h2-9,11,21H,10H2,1H3
InChIKeyVIMLRGQHMVXKNB-UHFFFAOYSA-N
MW313.75 g/mol
LogP5.57
Rot. Bonds4

About 2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline

2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline (PubChem CID 43714518) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline
PubChem CID43714518
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline
SMILESCC(CNc1ccc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H15ClF3N/c1-11(12-5-3-2-4-6-12)10-21-15-8-7-13(9-14(15)17)16(18,19)20/h2-9,11,21H,10H2,1H3
InChIKeyVIMLRGQHMVXKNB-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

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(3-Chloro-4-fluoro-phenyl)-(2-fluoro-benzyl)-amine
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N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-4-(2-pyrrolidin-3-ylethyl)aniline
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N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-4-(2-piperidin-3-ylethyl)aniline
CID 68325662
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2-(3-Chloro-4-piperidin-1-ylphenyl)propan-1-amine;hydrochloride
CID 69594914
N-[2-chloro-4-[[3-chloro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]-2,2,2-trifluoroacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline (CID 43714518) is 2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline is CC(CNc1ccc(C(F)(F)F)cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline?
The InChIKey is VIMLRGQHMVXKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-11(12-5-3-2-4-6-12)10-21-15-8-7-13(9-14(15)17)16(18,19)20/h2-9,11,21H,10H2,1H3.
What are the key properties of 2-chloro-N-(2-phenylpropyl)-4-(trifluoromethyl)aniline?
2-chloro-N-(2-phenylpropyl)-4-(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)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 43714518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).