N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine

C17H20FN — CID 78924574

IUPACN-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCc1ccccc1F
InChIInChI=1S/C17H20FN/c1-2-16(12-14-8-4-3-5-9-14)19-13-15-10-6-7-11-17(15)18/h3-11,16,19H,2,12-13H2,1H3
InChIKeyXUIKGOLVYSWUIY-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.94
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine

N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine (PubChem CID 78924574) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine
PubChem CID78924574
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCc1ccccc1F
InChIInChI=1S/C17H20FN/c1-2-16(12-14-8-4-3-5-9-14)19-13-15-10-6-7-11-17(15)18/h3-11,16,19H,2,12-13H2,1H3
InChIKeyXUIKGOLVYSWUIY-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

N-[(3-chloro-4-fluorophenyl)methyl]-1-phenylbutan-2-amine
CID 79008350
N-[(2-fluorophenyl)methyl]undecan-6-amine
CID 43763687
1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine
CID 146000033
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 79008837
(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922865
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine
CID 114931797
N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine
CID 79008069
1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 43696028
1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 60818141
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine (CID 78924574) is N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine?
The InChIKey is XUIKGOLVYSWUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-2-16(12-14-8-4-3-5-9-14)19-13-15-10-6-7-11-17(15)18/h3-11,16,19H,2,12-13H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine?
N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine is sourced from PubChem (CID 78924574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).