N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine

C17H20FN — CID 81380238

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(N[C@H](C)c1ccccc1F)c1ccccc1
InChIInChI=1S/C17H20FN/c1-3-17(14-9-5-4-6-10-14)19-13(2)15-11-7-8-12-16(15)18/h4-13,17,19H,3H2,1-2H3/t13-,17?/m1/s1
InChIKeyJLCXVXWMEAQJAC-FWJOYPJLSA-N
MW257.35 g/mol
LogP4.63
Rot. Bonds5

About N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine

N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine (PubChem CID 81380238) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
PubChem CID81380238
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(N[C@H](C)c1ccccc1F)c1ccccc1
InChIInChI=1S/C17H20FN/c1-3-17(14-9-5-4-6-10-14)19-13(2)15-11-7-8-12-16(15)18/h4-13,17,19H,3H2,1-2H3/t13-,17?/m1/s1
InChIKeyJLCXVXWMEAQJAC-FWJOYPJLSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81380496
N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 43680852
1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 63449080
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid
CID 81380426
N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81389010
1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 112676995
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine (CID 81380238) is N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine is CCC(N[C@H](C)c1ccccc1F)c1ccccc1.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine?
The InChIKey is JLCXVXWMEAQJAC-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-17(14-9-5-4-6-10-14)19-13(2)15-11-7-8-12-16(15)18/h4-13,17,19H,3H2,1-2H3/t13-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine?
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 81380238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).