(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine

C11H16BrN — CID 131320571

IUPAC(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine
SMILESCc1ccc(Br)cc1CC[C@@H](C)N
InChIInChI=1S/C11H16BrN/c1-8-3-6-11(12)7-10(8)5-4-9(2)13/h3,6-7,9H,4-5,13H2,1-2H3/t9-/m1/s1
InChIKeyMKPPBWSWWHKDNM-SECBINFHSA-N
MW242.16 g/mol
LogP3.04
Rot. Bonds3

About (2R)-4-(5-bromo-2-methylphenyl)butan-2-amine

(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine (PubChem CID 131320571) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is (2R)-4-(5-bromo-2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine
PubChem CID131320571
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine
SMILESCc1ccc(Br)cc1CC[C@@H](C)N
InChIInChI=1S/C11H16BrN/c1-8-3-6-11(12)7-10(8)5-4-9(2)13/h3,6-7,9H,4-5,13H2,1-2H3/t9-/m1/s1
InChIKeyMKPPBWSWWHKDNM-SECBINFHSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-4-(5-bromo-2-methylphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-bromo-2-methylphenyl)-2-methylbutanoic acid
CID 116926951
3-[(3S)-3-aminobutyl]-4-methylphenol
CID 130741104
3-(3-aminobutyl)-4-methylphenol
CID 130001431
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
2-(3-aminobutyl)-5-bromophenol
CID 130001244
(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
CID 131126672
N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine
CID 82648119
N'-[2-(5-bromo-2-methylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198789
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
4-(2,3-difluoro-4-methylphenyl)butan-2-amine
CID 107514336
(2R)-4-(2,4-dimethylphenyl)butan-2-amine
CID 95375920
4-(5-bromo-2-methyl-1H-indol-3-yl)butan-2-amine
CID 82502209

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-bromo-2-methylphenyl)butan-2-amine?
The IUPAC name of (2R)-4-(5-bromo-2-methylphenyl)butan-2-amine (CID 131320571) is (2R)-4-(5-bromo-2-methylphenyl)butan-2-amine.
What is the SMILES notation for (2R)-4-(5-bromo-2-methylphenyl)butan-2-amine?
The canonical SMILES for (2R)-4-(5-bromo-2-methylphenyl)butan-2-amine is Cc1ccc(Br)cc1CC[C@@H](C)N.
What is the InChIKey of (2R)-4-(5-bromo-2-methylphenyl)butan-2-amine?
The InChIKey is MKPPBWSWWHKDNM-SECBINFHSA-N. The full InChI is InChI=1S/C11H16BrN/c1-8-3-6-11(12)7-10(8)5-4-9(2)13/h3,6-7,9H,4-5,13H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-4-(5-bromo-2-methylphenyl)butan-2-amine?
(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine has a molecular weight of 242.16 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-bromo-2-methylphenyl)butan-2-amine is sourced from PubChem (CID 131320571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).