1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine

C17H19BrFN — CID 81380496

IUPAC1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCC(N[C@H](C)c1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrFN/c1-3-17(13-8-10-14(18)11-9-13)20-12(2)15-6-4-5-7-16(15)19/h4-12,17,20H,3H2,1-2H3/t12-,17?/m1/s1
InChIKeyVPSTYZXARIHHSG-MTATWXBHSA-N
MW336.25 g/mol
LogP5.39
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine

1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 81380496) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
PubChem CID81380496
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCC(N[C@H](C)c1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrFN/c1-3-17(13-8-10-14(18)11-9-13)20-12(2)15-6-4-5-7-16(15)19/h4-12,17,20H,3H2,1-2H3/t12-,17?/m1/s1
InChIKeyVPSTYZXARIHHSG-MTATWXBHSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81355146
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068
1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 63449080
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 82964918
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81389010
N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 43680852

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine (CID 81380496) is 1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine is CCC(N[C@H](C)c1ccccc1F)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is VPSTYZXARIHHSG-MTATWXBHSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-17(13-8-10-14(18)11-9-13)20-12(2)15-6-4-5-7-16(15)19/h4-12,17,20H,3H2,1-2H3/t12-,17?/m1/s1.
What are the key properties of 1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine?
1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 81380496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).