(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine

C16H18FN — CID 62801842

IUPAC(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(F)c(C)c2)c(C)c1
InChIInChI=1S/C16H18FN/c1-10-4-6-14(11(2)8-10)16(18)13-5-7-15(17)12(3)9-13/h4-9,16H,18H2,1-3H3
InChIKeyZZAIOAUTLRPIGQ-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.80
Rot. Bonds2

About (2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine

(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine (PubChem CID 62801842) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
PubChem CID62801842
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(F)c(C)c2)c(C)c1
InChIInChI=1S/C16H18FN/c1-10-4-6-14(11(2)8-10)16(18)13-5-7-15(17)12(3)9-13/h4-9,16H,18H2,1-3H3
InChIKeyZZAIOAUTLRPIGQ-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 (2,4-dimethylphenyl)-(4-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

(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55199902
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(3,5-dichlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43096001
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 43198537
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
(3-bromo-4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 113337076
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine (CID 62801842) is (2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine is Cc1ccc(C(N)c2ccc(F)c(C)c2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine?
The InChIKey is ZZAIOAUTLRPIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-10-4-6-14(11(2)8-10)16(18)13-5-7-15(17)12(3)9-13/h4-9,16H,18H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine?
(2,4-dimethylphenyl)-(4-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 (2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 62801842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).