N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine

C17H19ClFN — CID 64715077

IUPACN-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C17H19ClFN/c1-3-11-20-17(13-9-7-12(2)8-10-13)14-5-4-6-15(18)16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyGNMVAMUFMLKGGO-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.88
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine

N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine (PubChem CID 64715077) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine
PubChem CID64715077
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C17H19ClFN/c1-3-11-20-17(13-9-7-12(2)8-10-13)14-5-4-6-15(18)16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyGNMVAMUFMLKGGO-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-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)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-[(3-chloro-4-methylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 107560858
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64715289
[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine
CID 105223276
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000
N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 43495083
N-[(3-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 81264775
N-[(3-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64713123
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365
1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 79444566
N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 63502473
N-[(2,3-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 115851242
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine (CID 64715077) is N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1)c1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine?
The InChIKey is GNMVAMUFMLKGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-11-20-17(13-9-7-12(2)8-10-13)14-5-4-6-15(18)16(14)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine?
N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)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-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 64715077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).