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

C17H19BrFN — CID 43695926

IUPAC1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NC(C)c1ccc(F)cc1
InChIInChI=1S/C17H19BrFN/c1-12(11-14-3-7-16(18)8-4-14)20-13(2)15-5-9-17(19)10-6-15/h3-10,12-13,20H,11H2,1-2H3
InChIKeySEBXEZJQBWUYSP-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.87
Rot. Bonds5

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

1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine (PubChem CID 43695926) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
PubChem CID43695926
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NC(C)c1ccc(F)cc1
InChIInChI=1S/C17H19BrFN/c1-12(11-14-3-7-16(18)8-4-14)20-13(2)15-5-9-17(19)10-6-15/h3-10,12-13,20H,11H2,1-2H3
InChIKeySEBXEZJQBWUYSP-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63008182
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine
CID 43695741
1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene
CID 154714701
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43191748
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine (CID 43695926) is 1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine is CC(Cc1ccc(Br)cc1)NC(C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is SEBXEZJQBWUYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-12(11-14-3-7-16(18)8-4-14)20-13(2)15-5-9-17(19)10-6-15/h3-10,12-13,20H,11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine?
1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 336.25 g/mol, XLogP of 4.87, 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-[1-(4-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43695926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).