1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine

C16H17BrClN — CID 60819594

IUPAC1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Br)c1)Cc1ccccc1Cl
InChIInChI=1S/C16H17BrClN/c1-19-15(10-12-5-4-7-14(17)9-12)11-13-6-2-3-8-16(13)18/h2-9,15,19H,10-11H2,1H3
InChIKeyZDDCFWKCWYRWRO-UHFFFAOYSA-N
MW338.68 g/mol
LogP4.48
Rot. Bonds5

About 1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine

1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine (PubChem CID 60819594) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
PubChem CID60819594
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Br)c1)Cc1ccccc1Cl
InChIInChI=1S/C16H17BrClN/c1-19-15(10-12-5-4-7-14(17)9-12)11-13-6-2-3-8-16(13)18/h2-9,15,19H,10-11H2,1H3
InChIKeyZDDCFWKCWYRWRO-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 82806063
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
1-(3-bromo-4-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 63414842
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 103039859
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 107884614
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846
1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
CID 83176008
1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 63528467
1-(3-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234429
1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 63527888
1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 55095600
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine (CID 60819594) is 1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine is CNC(Cc1cccc(Br)c1)Cc1ccccc1Cl.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The InChIKey is ZDDCFWKCWYRWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-19-15(10-12-5-4-7-14(17)9-12)11-13-6-2-3-8-16(13)18/h2-9,15,19H,10-11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine has a molecular weight of 338.68 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 60819594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).