1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine

C15H16FN — CID 79689806

IUPAC1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine
SMILESCc1cc(F)cc(-c2ccc(C(C)N)cc2)c1
InChIInChI=1S/C15H16FN/c1-10-7-14(9-15(16)8-10)13-5-3-12(4-6-13)11(2)17/h3-9,11H,17H2,1-2H3
InChIKeyJBZGGDGYPQTBNA-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.82
Rot. Bonds2

About 1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine

1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine (PubChem CID 79689806) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine
PubChem CID79689806
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine
SMILESCc1cc(F)cc(-c2ccc(C(C)N)cc2)c1
InChIInChI=1S/C15H16FN/c1-10-7-14(9-15(16)8-10)13-5-3-12(4-6-13)11(2)17/h3-9,11H,17H2,1-2H3
InChIKeyJBZGGDGYPQTBNA-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine
CID 79691066
1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 61034165
1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine
CID 106882206
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine
CID 79049528
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79044635
(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 54594942
1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine
CID 82541962
1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride
CID 168665288
1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine (CID 79689806) is 1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine is Cc1cc(F)cc(-c2ccc(C(C)N)cc2)c1.
What is the InChIKey of 1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine?
The InChIKey is JBZGGDGYPQTBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-10-7-14(9-15(16)8-10)13-5-3-12(4-6-13)11(2)17/h3-9,11H,17H2,1-2H3.
What are the key properties of 1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine?
1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine has a molecular weight of 229.30 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 79689806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).