2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine

C17H20FN — CID 79007872

IUPAC2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccccc1)c1ccc(F)c(C)c1
InChIInChI=1S/C17H20FN/c1-3-17(19,12-14-7-5-4-6-8-14)15-9-10-16(18)13(2)11-15/h4-11H,3,12,19H2,1-2H3
InChIKeyQNGAFBORSNHQDK-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.94
Rot. Bonds4

About 2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine

2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine (PubChem CID 79007872) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine
PubChem CID79007872
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccccc1)c1ccc(F)c(C)c1
InChIInChI=1S/C17H20FN/c1-3-17(19,12-14-7-5-4-6-8-14)15-9-10-16(18)13(2)11-15/h4-11H,3,12,19H2,1-2H3
InChIKeyQNGAFBORSNHQDK-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine (CID 79007872) is 2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine is CCC(N)(Cc1ccccc1)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine?
The InChIKey is QNGAFBORSNHQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-17(19,12-14-7-5-4-6-8-14)15-9-10-16(18)13(2)11-15/h4-11H,3,12,19H2,1-2H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine?
2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 79007872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).