(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride

C11H16BrCl2N — CID 171223655

IUPAC(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@H](N)c1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C11H15BrClN.ClH/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13;/h4-7,11H,3,14H2,1-2H3;1H/t7?,11-;/m0./s1
InChIKeyVOOJNURHJUOGSI-LFMNOWIXSA-N
MW313.07 g/mol
LogP4.57
Rot. Bonds3

About (1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride

(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride (PubChem CID 171223655) has the molecular formula C11H16BrCl2N and a molecular weight of 313.07 g/mol. Its IUPAC name is (1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
PubChem CID171223655
Molecular FormulaC11H16BrCl2N
Molecular Weight313.07 g/mol
Exact Mass310.98
IUPAC Name(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@H](N)c1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C11H15BrClN.ClH/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13;/h4-7,11H,3,14H2,1-2H3;1H/t7?,11-;/m0./s1
InChIKeyVOOJNURHJUOGSI-LFMNOWIXSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
CID 105017362
2-[(1R)-1-amino-2-methylbutyl]-4-bromophenol;hydrochloride
CID 171198644
(1S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221153
(1R)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201616
1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 79742752
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
2-(4-bromo-2-chlorophenyl)pentan-3-ol
CID 82781712
(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 130839573
1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
CID 114979228
(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride
CID 175839042
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride (CID 171223655) is (1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride is CCC(C)[C@H](N)c1ccc(Br)cc1Cl.Cl.
What is the InChIKey of (1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride?
The InChIKey is VOOJNURHJUOGSI-LFMNOWIXSA-N. The full InChI is InChI=1S/C11H15BrClN.ClH/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13;/h4-7,11H,3,14H2,1-2H3;1H/t7?,11-;/m0./s1.
What are the key properties of (1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride?
(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride has a molecular weight of 313.07 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171223655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).