(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine

C16H18FNO2 — CID 62514449

IUPAC(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)ccc2F)cc1OC
InChIInChI=1S/C16H18FNO2/c1-10-4-6-13(17)12(8-10)16(18)11-5-7-14(19-2)15(9-11)20-3/h4-9,16H,18H2,1-3H3
InChIKeyJVXCKNCIXFNAHD-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.20
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine

(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine (PubChem CID 62514449) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
PubChem CID62514449
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)ccc2F)cc1OC
InChIInChI=1S/C16H18FNO2/c1-10-4-6-13(17)12(8-10)16(18)11-5-7-14(19-2)15(9-11)20-3/h4-9,16H,18H2,1-3H3
InChIKeyJVXCKNCIXFNAHD-UHFFFAOYSA-N
XLogP3.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine 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

(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
CID 24688761
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648
(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032758
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 105056543
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 43198537

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine (CID 62514449) is (3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine is COc1ccc(C(N)c2cc(C)ccc2F)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine?
The InChIKey is JVXCKNCIXFNAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-10-4-6-13(17)12(8-10)16(18)11-5-7-14(19-2)15(9-11)20-3/h4-9,16H,18H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine?
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine has a molecular weight of 275.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 62514449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).