4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline

C16H16F3N — CID 43765835

IUPAC4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
SMILESCc1ccc(NC(CC(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C16H16F3N/c1-12-7-9-14(10-8-12)20-15(11-16(17,18)19)13-5-3-2-4-6-13/h2-10,15,20H,11H2,1H3
InChIKeyZSWOXYONKOOVJL-UHFFFAOYSA-N
MW279.31 g/mol
LogP5.10
Rot. Bonds4

About 4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline

4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline (PubChem CID 43765835) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
PubChem CID43765835
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
SMILESCc1ccc(NC(CC(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C16H16F3N/c1-12-7-9-14(10-8-12)20-15(11-16(17,18)19)13-5-3-2-4-6-13/h2-10,15,20H,11H2,1H3
InChIKeyZSWOXYONKOOVJL-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.31
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,3,3-trifluoro-1-phenylpropyl)amino]benzonitrile
CID 43763822
2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43772833
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43764950
2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 65467800
3-ethynyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43755559
1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol
CID 132591942
4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline
CID 762865
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422
(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
CID 51695922

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
The IUPAC name of 4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline (CID 43765835) is 4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline.
What is the SMILES notation for 4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
The canonical SMILES for 4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline is Cc1ccc(NC(CC(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
The InChIKey is ZSWOXYONKOOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-12-7-9-14(10-8-12)20-15(11-16(17,18)19)13-5-3-2-4-6-13/h2-10,15,20H,11H2,1H3.
What are the key properties of 4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline has a molecular weight of 279.31 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline is sourced from PubChem (CID 43765835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).