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

C19H24BrN — CID 79422919

IUPAC3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1cccc(C(CNC(C)C)Cc2ccccc2Br)c1
InChIInChI=1S/C19H24BrN/c1-14(2)21-13-18(16-9-6-7-15(3)11-16)12-17-8-4-5-10-19(17)20/h4-11,14,18,21H,12-13H2,1-3H3
InChIKeyVVTLRWYHOJKZQW-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.08
Rot. Bonds6

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

3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 79422919) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID79422919
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1cccc(C(CNC(C)C)Cc2ccccc2Br)c1
InChIInChI=1S/C19H24BrN/c1-14(2)21-13-18(16-9-6-7-15(3)11-16)12-17-8-4-5-10-19(17)20/h4-11,14,18,21H,12-13H2,1-3H3
InChIKeyVVTLRWYHOJKZQW-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine
CID 79430471
3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 106647005
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81028590
3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79416571
3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416745
2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 79416846
3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid
CID 79435789
3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422309
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898
3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79433426

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine (CID 79422919) is 3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine is Cc1cccc(C(CNC(C)C)Cc2ccccc2Br)c1.
What is the InChIKey of 3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is VVTLRWYHOJKZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-14(2)21-13-18(16-9-6-7-15(3)11-16)12-17-8-4-5-10-19(17)20/h4-11,14,18,21H,12-13H2,1-3H3.
What are the key properties of 3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine?
3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 346.31 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79422919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).