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

C17H19ClFN — CID 102858638

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(CN)Cc1cccc(Cl)c1F
InChIInChI=1S/C17H19ClFN/c1-12-5-2-3-6-14(12)9-13(11-20)10-15-7-4-8-16(18)17(15)19/h2-8,13H,9-11,20H2,1H3
InChIKeyHQYRNBWBJUIRAI-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.15
Rot. Bonds5

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

2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine (PubChem CID 102858638) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
PubChem CID102858638
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(CN)Cc1cccc(Cl)c1F
InChIInChI=1S/C17H19ClFN/c1-12-5-2-3-6-14(12)9-13(11-20)10-15-7-4-8-16(18)17(15)19/h2-8,13H,9-11,20H2,1H3
InChIKeyHQYRNBWBJUIRAI-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)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

2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 102858628
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 102856635
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
CID 102863748
2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 107309627
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 115984177
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
1-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
2-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 63496886

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine (CID 102858638) is 2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1CC(CN)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
The InChIKey is HQYRNBWBJUIRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-12-5-2-3-6-14(12)9-13(11-20)10-15-7-4-8-16(18)17(15)19/h2-8,13H,9-11,20H2,1H3.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 102858638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).