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

C17H19ClFN — CID 106862630

IUPACN-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCc1ccc(CNC(C)Cc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-12-3-6-15(17(18)9-12)11-20-13(2)10-14-4-7-16(19)8-5-14/h3-9,13,20H,10-11H2,1-2H3
InChIKeyYZYCNJQWKRKRGD-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.51
Rot. Bonds5

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

N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 106862630) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID106862630
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCc1ccc(CNC(C)Cc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-12-3-6-15(17(18)9-12)11-20-13(2)10-14-4-7-16(19)8-5-14/h3-9,13,20H,10-11H2,1-2H3
InChIKeyYZYCNJQWKRKRGD-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 63462744
1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 115982845
N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63012959
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 61067726
1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 103905623
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106862514
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 79578576
1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine
CID 43696003

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine (CID 106862630) is N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine is Cc1ccc(CNC(C)Cc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is YZYCNJQWKRKRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-12-3-6-15(17(18)9-12)11-20-13(2)10-14-4-7-16(19)8-5-14/h3-9,13,20H,10-11H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.51, 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)methyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 106862630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).