1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine

C11H15BrClN — CID 112705508

IUPAC1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClN/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6,10H,14H2,1-3H3
InChIKeyJKHZVMRZSINZQD-UHFFFAOYSA-N
MW276.61 g/mol
LogP4.15
Rot. Bonds1

About 1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine

1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 112705508) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID112705508
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClN/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6,10H,14H2,1-3H3
InChIKeyJKHZVMRZSINZQD-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705506
methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
CID 162344269
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82774226
(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 130839573
(1S)-1-(4-bromo-2-chlorophenyl)hexan-1-amine
CID 171223632
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171223655
(1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol
CID 147216936
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
CID 155888152
(1S)-1-(4-bromo-2-chlorophenyl)-3-methylbut-3-en-1-amine
CID 131436877

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine (CID 112705508) is 1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is JKHZVMRZSINZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6,10H,14H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine?
1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 276.61 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 112705508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).