1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine

C11H15BrClN — CID 83988607

IUPAC1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H15BrClN/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11H,5,14H2,1-2H3
InChIKeyYGOJHUKFVVGGJV-UHFFFAOYSA-N
MW276.60 g/mol
LogP4.15
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine

1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine (PubChem CID 83988607) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
PubChem CID83988607
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H15BrClN/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11H,5,14H2,1-2H3
InChIKeyYGOJHUKFVVGGJV-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171204622
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine
CID 115849776
(1R)-1-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171201596
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol;hydrochloride
CID 171223578
(1S)-1-(2-chloro-4-methylphenyl)-3-methylbutan-1-amine
CID 99737671
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 171204790
1-(5-bromo-2-chlorophenyl)pent-4-yn-1-amine
CID 115859145

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine (CID 83988607) is 1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine is CC(C)CC(N)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine?
The InChIKey is YGOJHUKFVVGGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11H,5,14H2,1-2H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine?
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine has a molecular weight of 276.60 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 83988607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).