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

C17H19BrClN — CID 106869613

IUPAC2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(C)cc1Cl)c1ccccc1Br
InChIInChI=1S/C17H19BrClN/c1-12-7-8-13(17(19)9-12)10-14(11-20-2)15-5-3-4-6-16(15)18/h3-9,14,20H,10-11H2,1-2H3
InChIKeyMVJPYKHVBIDXSF-UHFFFAOYSA-N
MW352.70 g/mol
LogP4.96
Rot. Bonds5

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

2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine (PubChem CID 106869613) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine
PubChem CID106869613
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(C)cc1Cl)c1ccccc1Br
InChIInChI=1S/C17H19BrClN/c1-12-7-8-13(17(19)9-12)10-14(11-20-2)15-5-3-4-6-16(15)18/h3-9,14,20H,10-11H2,1-2H3
InChIKeyMVJPYKHVBIDXSF-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.70
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 114858886
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine
CID 79448852
2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
CID 79448562
3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439309
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
CID 106868115
3-(2-chloro-4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416930
2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine
CID 107309793
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153
2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 106867137
2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine
CID 104794735
1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106868760

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine (CID 106869613) is 2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(C)cc1Cl)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine?
The InChIKey is MVJPYKHVBIDXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-12-7-8-13(17(19)9-12)10-14(11-20-2)15-5-3-4-6-16(15)18/h3-9,14,20H,10-11H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine?
2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine has a molecular weight of 352.70 g/mol, XLogP of 4.96, 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-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 106869613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).