1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine

C11H15BrClN — CID 115347459

IUPAC1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)Cc1ccc(Cl)cc1Br
InChIInChI=1S/C11H15BrClN/c1-7(2)11(14)5-8-3-4-9(13)6-10(8)12/h3-4,6-7,11H,5,14H2,1-2H3
InChIKeyAFSDJVAIXBKDEX-UHFFFAOYSA-N
MW276.61 g/mol
LogP3.63
Rot. Bonds3

About 1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine

1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine (PubChem CID 115347459) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine
PubChem CID115347459
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)Cc1ccc(Cl)cc1Br
InChIInChI=1S/C11H15BrClN/c1-7(2)11(14)5-8-3-4-9(13)6-10(8)12/h3-4,6-7,11H,5,14H2,1-2H3
InChIKeyAFSDJVAIXBKDEX-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-amine
CID 83230541
(2-bromo-4-chlorophenyl)methanesulfonamide
CID 71683198
2-[(2-bromo-4-chlorophenyl)methylamino]propanamide
CID 81495277
2-[2-(2-bromo-4-chlorophenyl)ethyl]-5-chloroaniline
CID 10783688
2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene
CID 117221392
(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine
CID 131058214
diethyl 2-[2-(2-bromo-4-chlorophenyl)ethyl]propanedioate
CID 57317036
1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine
CID 103947027
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine (CID 115347459) is 1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine is CC(C)C(N)Cc1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine?
The InChIKey is AFSDJVAIXBKDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-7(2)11(14)5-8-3-4-9(13)6-10(8)12/h3-4,6-7,11H,5,14H2,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine?
1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine has a molecular weight of 276.61 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 115347459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).