1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine

C16H17ClFN — CID 114347640

IUPAC1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1cc(F)ccc1CC(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-11-8-15(18)7-4-13(11)10-16(19)9-12-2-5-14(17)6-3-12/h2-8,16H,9-10,19H2,1H3
InChIKeyXYUXSUKGLFZSPE-UHFFFAOYSA-N
MW277.77 g/mol
LogP3.90
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine

1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 114347640) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
PubChem CID114347640
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1cc(F)ccc1CC(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-11-8-15(18)7-4-13(11)10-16(19)9-12-2-5-14(17)6-3-12/h2-8,16H,9-10,19H2,1H3
InChIKeyXYUXSUKGLFZSPE-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-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-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
CID 62329924
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114348931
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine
CID 62603337

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine (CID 114347640) is 1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine is Cc1cc(F)ccc1CC(N)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is XYUXSUKGLFZSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11-8-15(18)7-4-13(11)10-16(19)9-12-2-5-14(17)6-3-12/h2-8,16H,9-10,19H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine?
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 277.77 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 114347640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).