N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine

C17H19ClFN — CID 106857172

IUPACN-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1F)c1ccc(C)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-3-10-20-17(14-6-4-5-7-16(14)19)13-9-8-12(2)11-15(13)18/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyGJQCAXPPDJIZHS-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.88
Rot. Bonds5

About N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine

N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine (PubChem CID 106857172) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
PubChem CID106857172
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1F)c1ccc(C)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-3-10-20-17(14-6-4-5-7-16(14)19)13-9-8-12(2)11-15(13)18/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyGJQCAXPPDJIZHS-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-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

N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 106861045
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 115827956
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(5-bromo-2-chlorophenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 115828061
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133
N-[(2,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496101
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(2-chloro-4-methylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 106858921
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[(2-bromo-4-chlorophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 107992992
N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 81454841

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine (CID 106857172) is N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccccc1F)c1ccc(C)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine?
The InChIKey is GJQCAXPPDJIZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-10-20-17(14-6-4-5-7-16(14)19)13-9-8-12(2)11-15(13)18/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine?
N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 106857172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).