1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine

C11H16BrN — CID 114979523

IUPAC1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(C)cc1Br
InChIInChI=1S/C11H16BrN/c1-4-11(13-3)9-6-5-8(2)7-10(9)12/h5-7,11,13H,4H2,1-3H3
InChIKeyPBRUBPGGCTYVDZ-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.43
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine

1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine (PubChem CID 114979523) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
PubChem CID114979523
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(C)cc1Br
InChIInChI=1S/C11H16BrN/c1-4-11(13-3)9-6-5-8(2)7-10(9)12/h5-7,11,13H,4H2,1-3H3
InChIKeyPBRUBPGGCTYVDZ-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-methylphenyl)-N-methylundecan-1-amine
CID 115845869
1-(2-bromo-4-methylphenyl)-N,3,5-trimethylhexan-1-amine
CID 114201075
1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 105017381
1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 115840991
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001613
1-(2-bromo-4-methylphenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990061
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153
1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854285
1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine
CID 114979373
[1-(2-bromo-4-methylphenyl)-5-methylhexyl]hydrazine
CID 105331264
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032435

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine (CID 114979523) is 1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine is CCC(NC)c1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine?
The InChIKey is PBRUBPGGCTYVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-4-11(13-3)9-6-5-8(2)7-10(9)12/h5-7,11,13H,4H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine?
1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 114979523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).