1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine

C15H16FN — CID 54911668

IUPAC1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine
SMILESCc1cc(-c2ccccc2C(C)N)ccc1F
InChIInChI=1S/C15H16FN/c1-10-9-12(7-8-15(10)16)14-6-4-3-5-13(14)11(2)17/h3-9,11H,17H2,1-2H3
InChIKeyIXXATDUPPRHPEX-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.82
Rot. Bonds2

About 1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine

1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine (PubChem CID 54911668) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine
PubChem CID54911668
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine
SMILESCc1cc(-c2ccccc2C(C)N)ccc1F
InChIInChI=1S/C15H16FN/c1-10-9-12(7-8-15(10)16)14-6-4-3-5-13(14)11(2)17/h3-9,11H,17H2,1-2H3
InChIKeyIXXATDUPPRHPEX-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine (CID 54911668) is 1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine is Cc1cc(-c2ccccc2C(C)N)ccc1F.
What is the InChIKey of 1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine?
The InChIKey is IXXATDUPPRHPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-10-9-12(7-8-15(10)16)14-6-4-3-5-13(14)11(2)17/h3-9,11H,17H2,1-2H3.
What are the key properties of 1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine?
1-[2-(4-fluoro-3-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-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 54911668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).