N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine

C18H22FN — CID 62515681

IUPACN-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1cc(C)ccc1F
InChIInChI=1S/C18H22FN/c1-5-20-18(15-8-7-13(3)14(4)11-15)16-10-12(2)6-9-17(16)19/h6-11,18,20H,5H2,1-4H3
InChIKeyFFIWBTSUMYMKTD-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.45
Rot. Bonds4

About N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine

N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 62515681) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
PubChem CID62515681
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1cc(C)ccc1F
InChIInChI=1S/C18H22FN/c1-5-20-18(15-8-7-13(3)14(4)11-15)16-10-12(2)6-9-17(16)19/h6-11,18,20H,5H2,1-4H3
InChIKeyFFIWBTSUMYMKTD-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)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-[(2,5-dimethylphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487964
N-[(4-bromophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62516024
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968
N-[(4-fluoro-3-methylphenyl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792226
N-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43488020
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107539382
N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488838
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548
N-[(3-bromo-4-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]ethanamine
CID 81109551
N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487938
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 63418615

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine (CID 62515681) is N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(C)c1)c1cc(C)ccc1F.
What is the InChIKey of N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is FFIWBTSUMYMKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-5-20-18(15-8-7-13(3)14(4)11-15)16-10-12(2)6-9-17(16)19/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 62515681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).