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

C16H17BrFN — CID 43696028

IUPAC1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCc1ccccc1F
InChIInChI=1S/C16H17BrFN/c1-12(10-13-6-8-15(17)9-7-13)19-11-14-4-2-3-5-16(14)18/h2-9,12,19H,10-11H2,1H3
InChIKeyPKOLJYJNGBYZAK-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.31
Rot. Bonds5

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

1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine (PubChem CID 43696028) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine
PubChem CID43696028
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCc1ccccc1F
InChIInChI=1S/C16H17BrFN/c1-12(10-13-6-8-15(17)9-7-13)19-11-14-4-2-3-5-16(14)18/h2-9,12,19H,10-11H2,1H3
InChIKeyPKOLJYJNGBYZAK-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 107859641
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzene-1,3-diol
CID 43695780
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine
CID 43695878
N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 115982845
1-ethylsulfanyl-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 115660784
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 60936188
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine
CID 43695741
1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 60781421
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592294
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 23824143

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine (CID 43696028) is 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine is CC(Cc1ccc(Br)cc1)NCc1ccccc1F.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine?
The InChIKey is PKOLJYJNGBYZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-12(10-13-6-8-15(17)9-7-13)19-11-14-4-2-3-5-16(14)18/h2-9,12,19H,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine?
1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine has a molecular weight of 322.22 g/mol, XLogP of 4.31, 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-[(2-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 43696028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).