N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine

C16H17ClFN — CID 115792045

IUPACN-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H17ClFN/c1-3-19-16(12-5-4-6-14(18)10-12)13-7-8-15(17)11(2)9-13/h4-10,16,19H,3H2,1-2H3
InChIKeyRATRBVHWVZRQRJ-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.49
Rot. Bonds4

About N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine

N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine (PubChem CID 115792045) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine
PubChem CID115792045
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H17ClFN/c1-3-19-16(12-5-4-6-14(18)10-12)13-7-8-15(17)11(2)9-13/h4-10,16,19H,3H2,1-2H3
InChIKeyRATRBVHWVZRQRJ-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine 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-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861982
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(4-bromo-3-chloro-2-fluorophenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 106764878
N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992930
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine (CID 115792045) is N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine is CCNC(c1cccc(F)c1)c1ccc(Cl)c(C)c1.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine?
The InChIKey is RATRBVHWVZRQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-3-19-16(12-5-4-6-14(18)10-12)13-7-8-15(17)11(2)9-13/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine?
N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115792045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).