(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine

C11H16BrN — CID 131010900

IUPAC(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
SMILESCc1ccc(Br)c([C@@H](N)C(C)C)c1
InChIInChI=1S/C11H16BrN/c1-7(2)11(13)9-6-8(3)4-5-10(9)12/h4-7,11H,13H2,1-3H3/t11-/m0/s1
InChIKeyYMGQDOAEUBOTGJ-NSHDSACASA-N
MW242.16 g/mol
LogP3.41
Rot. Bonds2

About (1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine

(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine (PubChem CID 131010900) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is (1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
PubChem CID131010900
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
SMILESCc1ccc(Br)c([C@@H](N)C(C)C)c1
InChIInChI=1S/C11H16BrN/c1-7(2)11(13)9-6-8(3)4-5-10(9)12/h4-7,11H,13H2,1-3H3/t11-/m0/s1
InChIKeyYMGQDOAEUBOTGJ-NSHDSACASA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-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

(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
1-(2-bromo-5-methylphenyl)-2-ethylbutan-1-amine
CID 105014086
(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
CID 130883143
(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
CID 131093124
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine
CID 55273772
1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine
CID 115846478
1-(2-bromo-5-methylphenyl)butan-1-amine
CID 83988260
(1S,2R)-1-amino-1-(2-bromo-4-methylphenyl)-3-methylbutan-2-ol
CID 131392240
1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 114978438
(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301728

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine (CID 131010900) is (1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine is Cc1ccc(Br)c([C@@H](N)C(C)C)c1.
What is the InChIKey of (1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is YMGQDOAEUBOTGJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H16BrN/c1-7(2)11(13)9-6-8(3)4-5-10(9)12/h4-7,11H,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine?
(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 131010900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).