N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine

C17H20FN — CID 79438873

IUPACN-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
SMILESCCNCC(Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H20FN/c1-2-19-13-15(12-14-8-4-3-5-9-14)16-10-6-7-11-17(16)18/h3-11,15,19H,2,12-13H2,1H3
InChIKeyMADSJYNDTSQBHT-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.76
Rot. Bonds6

About N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine

N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine (PubChem CID 79438873) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
PubChem CID79438873
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
SMILESCCNCC(Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H20FN/c1-2-19-13-15(12-14-8-4-3-5-9-14)16-10-6-7-11-17(16)18/h3-11,15,19H,2,12-13H2,1H3
InChIKeyMADSJYNDTSQBHT-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048
N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79439132
N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871545
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene
CID 173233080
N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79434158
3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 79434390
N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421243
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 107897542
N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014723

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine (CID 79438873) is N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine is CCNCC(Cc1ccccc1)c1ccccc1F.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine?
The InChIKey is MADSJYNDTSQBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-2-19-13-15(12-14-8-4-3-5-9-14)16-10-6-7-11-17(16)18/h3-11,15,19H,2,12-13H2,1H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine?
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 79438873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).