1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine

C16H18FN — CID 60820090

IUPAC1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H18FN/c1-12-8-9-14(11-15(12)17)16(18-2)10-13-6-4-3-5-7-13/h3-9,11,16,18H,10H2,1-2H3
InChIKeyDFHKYEDRKFPSKW-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.64
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine

1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine (PubChem CID 60820090) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
PubChem CID60820090
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H18FN/c1-12-8-9-14(11-15(12)17)16(18-2)10-13-6-4-3-5-7-13/h3-9,11,16,18H,10H2,1-2H3
InChIKeyDFHKYEDRKFPSKW-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine 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

1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
CID 43484623
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353
2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 63413610
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 103048488
1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 107130321
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 102857521
3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
CID 82922591
2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol
CID 55245369
2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 55095213
2-(3-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 62601801

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine (CID 60820090) is 1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine?
The InChIKey is DFHKYEDRKFPSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-12-8-9-14(11-15(12)17)16(18-2)10-13-6-4-3-5-7-13/h3-9,11,16,18H,10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine?
1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine has a molecular weight of 243.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 60820090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).