1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine

C17H20BrN — CID 60819427

IUPAC1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
SMILESCNC(Cc1cccc(Br)c1)Cc1ccccc1C
InChIInChI=1S/C17H20BrN/c1-13-6-3-4-8-15(13)12-17(19-2)11-14-7-5-9-16(18)10-14/h3-10,17,19H,11-12H2,1-2H3
InChIKeyKOQMBRKPUZYCCE-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.13
Rot. Bonds5

About 1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine

1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine (PubChem CID 60819427) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
PubChem CID60819427
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
SMILESCNC(Cc1cccc(Br)c1)Cc1ccccc1C
InChIInChI=1S/C17H20BrN/c1-13-6-3-4-8-15(13)12-17(19-2)11-14-7-5-9-16(18)10-14/h3-10,17,19H,11-12H2,1-2H3
InChIKeyKOQMBRKPUZYCCE-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 63528467
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CID 60819594
1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 82806063
1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 55095600
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-(5-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 62601970
1-(3-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234429
1-(3-bromophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131430
N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine
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1-(3-bromophenyl)-N-methylhex-4-yn-2-amine
CID 62310795

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine (CID 60819427) is 1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine is CNC(Cc1cccc(Br)c1)Cc1ccccc1C.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine?
The InChIKey is KOQMBRKPUZYCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-13-6-3-4-8-15(13)12-17(19-2)11-14-7-5-9-16(18)10-14/h3-10,17,19H,11-12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine?
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine has a molecular weight of 318.26 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 60819427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).