1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine

C11H15BrClN — CID 83745032

IUPAC1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H15BrClN/c1-11(2,14-3)7-8-4-5-10(13)9(12)6-8/h4-6,14H,7H2,1-3H3
InChIKeyBFJYZUAYEATXAZ-UHFFFAOYSA-N
MW276.61 g/mol
LogP3.64
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine

1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine (PubChem CID 83745032) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine
PubChem CID83745032
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H15BrClN/c1-11(2,14-3)7-8-4-5-10(13)9(12)6-8/h4-6,14H,7H2,1-3H3
InChIKeyBFJYZUAYEATXAZ-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine
CID 82649708
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
2-bromo-4-butyl-1-chlorobenzene
CID 50997862
3-[(3-bromo-4-chlorophenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 83230108
N-[(3-bromo-4-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83230110
N-[(3-bromo-4-chlorophenyl)methyl]but-2-yn-1-amine
CID 115908797
3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 83231093
tert-butyl N-[2-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropyl]carbamate
CID 107249263
2-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpentanoic acid
CID 83240281
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115908020
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
2-(3-bromo-4-chlorophenyl)acetaldehyde
CID 83240739

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine (CID 83745032) is 1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine is CNC(C)(C)Cc1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine?
The InChIKey is BFJYZUAYEATXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-11(2,14-3)7-8-4-5-10(13)9(12)6-8/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine?
1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine has a molecular weight of 276.61 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 83745032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).