1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine

C16H18FN — CID 165144963

IUPAC1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine
SMILESCc1ccc(Cc2ccc(C(C)N)c(F)c2)cc1
InChIInChI=1S/C16H18FN/c1-11-3-5-13(6-4-11)9-14-7-8-15(12(2)18)16(17)10-14/h3-8,10,12H,9,18H2,1-2H3
InChIKeyXWMVCDGYCLMEQX-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.74
Rot. Bonds3

About 1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine

1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine (PubChem CID 165144963) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine
PubChem CID165144963
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine
SMILESCc1ccc(Cc2ccc(C(C)N)c(F)c2)cc1
InChIInChI=1S/C16H18FN/c1-11-3-5-13(6-4-11)9-14-7-8-15(12(2)18)16(17)10-14/h3-8,10,12H,9,18H2,1-2H3
InChIKeyXWMVCDGYCLMEQX-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine (CID 165144963) is 1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine is Cc1ccc(Cc2ccc(C(C)N)c(F)c2)cc1.
What is the InChIKey of 1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine?
The InChIKey is XWMVCDGYCLMEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-3-5-13(6-4-11)9-14-7-8-15(12(2)18)16(17)10-14/h3-8,10,12H,9,18H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine?
1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine has a molecular weight of 243.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine is sourced from PubChem (CID 165144963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).