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

C13H20BrN — CID 105017381

IUPAC1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1ccc(C)cc1Br
InChIInChI=1S/C13H20BrN/c1-5-10(3)13(15-4)11-7-6-9(2)8-12(11)14/h6-8,10,13,15H,5H2,1-4H3
InChIKeyWMXBXXHWHQWAEV-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.06
Rot. Bonds4

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

1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine (PubChem CID 105017381) 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-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine
PubChem CID105017381
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1ccc(C)cc1Br
InChIInChI=1S/C13H20BrN/c1-5-10(3)13(15-4)11-7-6-9(2)8-12(11)14/h6-8,10,13,15H,5H2,1-4H3
InChIKeyWMXBXXHWHQWAEV-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-bromo-4-methylphenyl)-N-methylpropan-1-amine
CID 114979523
1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine
CID 79596424
1-(2-bromo-4-methylphenyl)-N,3,5-trimethylhexan-1-amine
CID 114201075
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 107994549
1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862601
1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854285
N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine
CID 104790058
1-(2-bromo-4-methylphenyl)-N-methylundecan-1-amine
CID 115845869
1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine
CID 62303499
1-(2-bromo-3-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 105017295
1-(2-bromo-4-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022239
2-bromo-1-[(1R)-1-(ethoxymethoxy)propyl]-4-methylbenzene
CID 89047120

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine (CID 105017381) is 1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine is CCC(C)C(NC)c1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine?
The InChIKey is WMXBXXHWHQWAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-5-10(3)13(15-4)11-7-6-9(2)8-12(11)14/h6-8,10,13,15H,5H2,1-4H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine?
1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 4.06, 4 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-dimethylbutan-1-amine is sourced from PubChem (CID 105017381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).