2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine

C16H16BrClFN — CID 114858886

IUPAC2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1F)c1ccccc1Br
InChIInChI=1S/C16H16BrClFN/c1-20-10-12(14-4-2-3-5-15(14)17)8-11-6-7-13(18)9-16(11)19/h2-7,9,12,20H,8,10H2,1H3
InChIKeyABPRJKRIYGDXJE-UHFFFAOYSA-N
MW356.67 g/mol
LogP4.79
Rot. Bonds5

About 2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine

2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 114858886) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine
PubChem CID114858886
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1F)c1ccccc1Br
InChIInChI=1S/C16H16BrClFN/c1-20-10-12(14-4-2-3-5-15(14)17)8-11-6-7-13(18)9-16(11)19/h2-7,9,12,20H,8,10H2,1H3
InChIKeyABPRJKRIYGDXJE-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 81024440
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine
CID 79448852
2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine
CID 106869613
2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
CID 79448562
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 105055263
3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79437285
3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439309
2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine
CID 104794735
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79436328
2-(3-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114858847

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine (CID 114858886) is 2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Cl)cc1F)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is ABPRJKRIYGDXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-20-10-12(14-4-2-3-5-15(14)17)8-11-6-7-13(18)9-16(11)19/h2-7,9,12,20H,8,10H2,1H3.
What are the key properties of 2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine?
2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 356.67 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 114858886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).