(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine

C16H18FN — CID 81478085

IUPAC(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)c2cccc(C)c2F)c1
InChIInChI=1S/C16H18FN/c1-10-7-8-11(2)14(9-10)16(18)13-6-4-5-12(3)15(13)17/h4-9,16H,18H2,1-3H3
InChIKeyHHCMEWJFPPKHLH-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.80
Rot. Bonds2

About (2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine

(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine (PubChem CID 81478085) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
PubChem CID81478085
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)c2cccc(C)c2F)c1
InChIInChI=1S/C16H18FN/c1-10-7-8-11(2)14(9-10)16(18)13-6-4-5-12(3)15(13)17/h4-9,16H,18H2,1-3H3
InChIKeyHHCMEWJFPPKHLH-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,5-dimethylphenyl)-(2-fluoro-3-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

(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 55101767
(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 64712292
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477083
(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 107476124
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477695
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine (CID 81478085) is (2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine is Cc1ccc(C)c(C(N)c2cccc(C)c2F)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The InChIKey is HHCMEWJFPPKHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-10-7-8-11(2)14(9-10)16(18)13-6-4-5-12(3)15(13)17/h4-9,16H,18H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine?
(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine has a molecular weight of 243.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 81478085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).