3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine

C16H17F2N — CID 107514342

IUPAC3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine
SMILESCc1ccc(CCC(N)c2ccccc2)c(F)c1F
InChIInChI=1S/C16H17F2N/c1-11-7-8-13(16(18)15(11)17)9-10-14(19)12-5-3-2-4-6-12/h2-8,14H,9-10,19H2,1H3
InChIKeyJNMGJDWGLVEACP-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.91
Rot. Bonds4

About 3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine

3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine (PubChem CID 107514342) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine
PubChem CID107514342
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine
SMILESCc1ccc(CCC(N)c2ccccc2)c(F)c1F
InChIInChI=1S/C16H17F2N/c1-11-7-8-13(16(18)15(11)17)9-10-14(19)12-5-3-2-4-6-12/h2-8,14H,9-10,19H2,1H3
InChIKeyJNMGJDWGLVEACP-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine 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

1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 64505128
4-(2,3-difluoro-4-methylphenyl)butan-2-amine
CID 107514336
1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 105092976
1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene
CID 123274263
3-naphthalen-1-yl-1-phenylpropan-1-amine
CID 43370421
1-(2,3-difluoro-4-methylphenyl)hexan-3-ol
CID 107514399
1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine
CID 82822872
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene
CID 155200965
1-(4-ethoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 105140845
3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine
CID 91132178
3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine
CID 19884969

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine?
The IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine (CID 107514342) is 3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine is Cc1ccc(CCC(N)c2ccccc2)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine?
The InChIKey is JNMGJDWGLVEACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-7-8-13(16(18)15(11)17)9-10-14(19)12-5-3-2-4-6-12/h2-8,14H,9-10,19H2,1H3.
What are the key properties of 3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine?
3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 107514342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).