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

C17H20FN — CID 62789738

IUPAC1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1ccc(F)cc1C
InChIInChI=1S/C17H20FN/c1-3-11-17(19,14-7-5-4-6-8-14)16-10-9-15(18)12-13(16)2/h4-10,12H,3,11,19H2,1-2H3
InChIKeyBAQQUUTUEPWTPK-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.14
Rot. Bonds4

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

1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine (PubChem CID 62789738) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine
PubChem CID62789738
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1ccc(F)cc1C
InChIInChI=1S/C17H20FN/c1-3-11-17(19,14-7-5-4-6-8-14)16-10-9-15(18)12-13(16)2/h4-10,12H,3,11,19H2,1-2H3
InChIKeyBAQQUUTUEPWTPK-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 62963914
1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
CID 106644665
1-(3-fluorophenyl)-1-(2-methylphenyl)propan-1-amine
CID 114872777
1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine
CID 66274156
2-(4-fluoro-2-methylphenyl)propan-2-amine
CID 62790601
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine
CID 106679845
1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine
CID 105373090
1-(2,4-dimethylphenyl)-1,2-diphenylethanamine
CID 131741516
1-chloro-1-phenylbutan-1-amine
CID 174514762
1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride
CID 131741515
2-fluoro-2-(4-fluoro-2-methylphenyl)propan-1-amine
CID 112565193

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine (CID 62789738) is 1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine is CCCC(N)(c1ccccc1)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine?
The InChIKey is BAQQUUTUEPWTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-11-17(19,14-7-5-4-6-8-14)16-10-9-15(18)12-13(16)2/h4-10,12H,3,11,19H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine?
1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 62789738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).