1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine

C17H20FN — CID 105373090

IUPAC1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine
SMILESCCC(N)(Cc1cc(F)ccc1C)c1ccccc1
InChIInChI=1S/C17H20FN/c1-3-17(19,15-7-5-4-6-8-15)12-14-11-16(18)10-9-13(14)2/h4-11H,3,12,19H2,1-2H3
InChIKeyYECXQKPFEDIGPG-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.94
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine

1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine (PubChem CID 105373090) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine
PubChem CID105373090
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine
SMILESCCC(N)(Cc1cc(F)ccc1C)c1ccccc1
InChIInChI=1S/C17H20FN/c1-3-17(19,15-7-5-4-6-8-15)12-14-11-16(18)10-9-13(14)2/h4-11H,3,12,19H2,1-2H3
InChIKeyYECXQKPFEDIGPG-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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Related Compounds

1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine
CID 61481647
1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine
CID 114872708
2-phenyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 63408240
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbutanoic acid
CID 105372510
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
2-(3-fluoro-5-methylphenyl)-1-phenylbutan-2-amine
CID 79703833
2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine
CID 79007872
2-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376123
1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine
CID 62789738
2-[3-chloro-2-(chloromethyl)-2-(2-methylphenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376120
2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376149
2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 114872618

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine (CID 105373090) is 1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine is CCC(N)(Cc1cc(F)ccc1C)c1ccccc1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine?
The InChIKey is YECXQKPFEDIGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-17(19,15-7-5-4-6-8-15)12-14-11-16(18)10-9-13(14)2/h4-11H,3,12,19H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine?
1-(5-fluoro-2-methylphenyl)-2-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 1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine is sourced from PubChem (CID 105373090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).