(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine

C16H18FNO — CID 43561246

IUPAC(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(C)cc2C)c(F)c1
InChIInChI=1S/C16H18FNO/c1-10-4-6-13(11(2)8-10)16(18)14-7-5-12(19-3)9-15(14)17/h4-9,16H,18H2,1-3H3
InChIKeyBCNYBMWTYMGJTA-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.50
Rot. Bonds3

About (2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine

(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 43561246) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID43561246
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(C)cc2C)c(F)c1
InChIInChI=1S/C16H18FNO/c1-10-4-6-13(11(2)8-10)16(18)14-7-5-12(19-3)9-15(14)17/h4-9,16H,18H2,1-3H3
InChIKeyBCNYBMWTYMGJTA-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)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

(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62514630
(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 60964479
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61080731
(5-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 82883895
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102833497
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine (CID 43561246) is (2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(C)cc2C)c(F)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is BCNYBMWTYMGJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-10-4-6-13(11(2)8-10)16(18)14-7-5-12(19-3)9-15(14)17/h4-9,16H,18H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 259.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 43561246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).