[4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine

C15H16FN — CID 115502881

IUPAC[4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1-c1cccc(F)c1C
InChIInChI=1S/C15H16FN/c1-10-8-12(9-17)6-7-13(10)14-4-3-5-15(16)11(14)2/h3-8H,9,17H2,1-2H3
InChIKeyWUAZWSHIIFJBGK-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.57
Rot. Bonds2

About [4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine

[4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine (PubChem CID 115502881) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is [4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
PubChem CID115502881
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name[4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1-c1cccc(F)c1C
InChIInChI=1S/C15H16FN/c1-10-8-12(9-17)6-7-13(10)14-4-3-5-15(16)11(14)2/h3-8H,9,17H2,1-2H3
InChIKeyWUAZWSHIIFJBGK-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-fluoro-2-methylphenyl)-3-methylaniline
CID 115502785
[4-(3,5-difluorophenyl)-3-methylphenyl]methanamine
CID 66479617
[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 66479818
[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 66479645
[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine
CID 54911954
[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine
CID 115002125
2-fluoro-6-(3-fluoro-2-methylphenyl)aniline
CID 107602875
[4-(3,5-dimethylphenyl)-3-methylphenyl]methanamine
CID 66480214
[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine
CID 81441213
[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033
4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
CID 55207918
N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine
CID 115502872

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine?
The IUPAC name of [4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine (CID 115502881) is [4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine is Cc1cc(CN)ccc1-c1cccc(F)c1C.
What is the InChIKey of [4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine?
The InChIKey is WUAZWSHIIFJBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-10-8-12(9-17)6-7-13(10)14-4-3-5-15(16)11(14)2/h3-8H,9,17H2,1-2H3.
What are the key properties of [4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine?
[4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine has a molecular weight of 229.30 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine is sourced from PubChem (CID 115502881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).