1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine

C11H16BrN — CID 114979373

IUPAC1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc(Br)c1C
InChIInChI=1S/C11H16BrN/c1-4-11(13-3)9-6-5-7-10(12)8(9)2/h5-7,11,13H,4H2,1-3H3
InChIKeyQKZXVLIZFHJOMH-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.43
Rot. Bonds3

About 1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine

1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine (PubChem CID 114979373) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine
PubChem CID114979373
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc(Br)c1C
InChIInChI=1S/C11H16BrN/c1-4-11(13-3)9-6-5-7-10(12)8(9)2/h5-7,11,13H,4H2,1-3H3
InChIKeyQKZXVLIZFHJOMH-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-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine
CID 105007883
1-(3-bromo-2-methylphenyl)-N-methylpent-4-en-1-amine
CID 104987320
1-bromo-3-(1-bromopropyl)-2-methylbenzene
CID 130139953
1-(3-bromo-2-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849363
1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050985
1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
CID 114979523
1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine
CID 115832741
1-(3-bromo-2-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834241
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 105055263
1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864882
1-(3-bromo-2-methylphenyl)-2-ethylbutan-1-ol
CID 115821876
1-(3-bromo-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049763

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine (CID 114979373) is 1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine is CCC(NC)c1cccc(Br)c1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine?
The InChIKey is QKZXVLIZFHJOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-4-11(13-3)9-6-5-7-10(12)8(9)2/h5-7,11,13H,4H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine?
1-(3-bromo-2-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-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 114979373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).