1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine

C13H20BrN — CID 115854285

IUPAC1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1ccc(C)cc1Br)C(C)(C)C
InChIInChI=1S/C13H20BrN/c1-9-6-7-10(11(14)8-9)12(15-5)13(2,3)4/h6-8,12,15H,1-5H3
InChIKeyJQQIFQMVVJJDBQ-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.06
Rot. Bonds2

About 1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine

1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 115854285) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID115854285
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1ccc(C)cc1Br)C(C)(C)C
InChIInChI=1S/C13H20BrN/c1-9-6-7-10(11(14)8-9)12(15-5)13(2,3)4/h6-8,12,15H,1-5H3
InChIKeyJQQIFQMVVJJDBQ-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
CID 114979523
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)-3,3-dimethylbutan-2-ol
CID 171261698
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 105017381
1-(4-fluoro-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62789845
1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 107984953
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741
1-(2-bromo-4-methylphenyl)-N,3,5-trimethylhexan-1-amine
CID 114201075
(2S)-2-amino-2-(2-bromo-4-methylphenyl)acetonitrile
CID 130055180
1-(2-bromo-4-methylphenyl)-N-methylundecan-1-amine
CID 115845869
1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine
CID 115850161

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine (CID 115854285) is 1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine is CNC(c1ccc(C)cc1Br)C(C)(C)C.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is JQQIFQMVVJJDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-9-6-7-10(11(14)8-9)12(15-5)13(2,3)4/h6-8,12,15H,1-5H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine?
1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 4.06, 2 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,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 115854285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).