[4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine

C15H16FN — CID 54912650

IUPAC[4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine
SMILESCc1cc(C)cc(-c2ccc(CN)c(F)c2)c1
InChIInChI=1S/C15H16FN/c1-10-5-11(2)7-14(6-10)12-3-4-13(9-17)15(16)8-12/h3-8H,9,17H2,1-2H3
InChIKeyZPOWIVFBMLEHOB-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.57
Rot. Bonds2

About [4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine

[4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine (PubChem CID 54912650) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is [4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine
PubChem CID54912650
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name[4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine
SMILESCc1cc(C)cc(-c2ccc(CN)c(F)c2)c1
InChIInChI=1S/C15H16FN/c1-10-5-11(2)7-14(6-10)12-3-4-13(9-17)15(16)8-12/h3-8H,9,17H2,1-2H3
InChIKeyZPOWIVFBMLEHOB-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

[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
CID 54911715
[2-fluoro-5-(3-fluoro-5-methylphenyl)phenyl]methanamine
CID 79690313
4-[4-(aminomethyl)-3-fluorophenyl]phenol
CID 71100471
1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine
CID 79690156
N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
CID 79691265
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride
CID 172650769
[4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride
CID 171392254
N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
3,6-bis(3,5-dimethylphenyl)phenanthrene
CID 91501927
2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59499857
3-methyl-5-(3,4,5-trifluorophenyl)aniline
CID 107579493

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine?
The IUPAC name of [4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine (CID 54912650) is [4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine?
The canonical SMILES for [4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine is Cc1cc(C)cc(-c2ccc(CN)c(F)c2)c1.
What is the InChIKey of [4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine?
The InChIKey is ZPOWIVFBMLEHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-10-5-11(2)7-14(6-10)12-3-4-13(9-17)15(16)8-12/h3-8H,9,17H2,1-2H3.
What are the key properties of [4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine?
[4-(3,5-dimethylphenyl)-2-fluorophenyl]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-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 54912650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).