(1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride

C11H17BrClN — CID 171202123

IUPAC(1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1ccc(C)cc1Br.Cl
InChIInChI=1S/C11H16BrN.ClH/c1-3-4-11(13)9-6-5-8(2)7-10(9)12;/h5-7,11H,3-4,13H2,1-2H3;1H/t11-;/m1./s1
InChIKeySPOGZZZMSUTRSZ-RFVHGSKJSA-N
MW278.62 g/mol
LogP3.98
Rot. Bonds3

About (1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride

(1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride (PubChem CID 171202123) has the molecular formula C11H17BrClN and a molecular weight of 278.62 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride
PubChem CID171202123
Molecular FormulaC11H17BrClN
Molecular Weight278.62 g/mol
Exact Mass277.02
IUPAC Name(1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1ccc(C)cc1Br.Cl
InChIInChI=1S/C11H16BrN.ClH/c1-3-4-11(13)9-6-5-8(2)7-10(9)12;/h5-7,11H,3-4,13H2,1-2H3;1H/t11-;/m1./s1
InChIKeySPOGZZZMSUTRSZ-RFVHGSKJSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-bromo-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221661
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CID 171202134
1-(2-bromo-5-methylphenyl)butan-1-amine
CID 83988260
(1R)-1-(2-bromo-4-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171202119
(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171221659
1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine
CID 115850161
2-[(1S)-1-aminobutyl]-5-methylphenol;hydrochloride
CID 171232006
1-(2-bromo-4-methylphenyl)pent-4-yn-1-amine
CID 115859575
1-(2-bromo-4-methylphenyl)hex-5-en-1-amine
CID 104987112
1-(2-bromo-4-methylphenyl)-3-ethylheptan-1-amine
CID 115806741
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
(1S)-1-(2-ethyl-5-methylphenyl)butan-1-amine
CID 55296637

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride (CID 171202123) is (1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride is CCC[C@@H](N)c1ccc(C)cc1Br.Cl.
What is the InChIKey of (1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride?
The InChIKey is SPOGZZZMSUTRSZ-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H16BrN.ClH/c1-3-4-11(13)9-6-5-8(2)7-10(9)12;/h5-7,11H,3-4,13H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride?
(1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride has a molecular weight of 278.62 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171202123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).