1-(3-bromo-4,5-dimethylphenyl)propan-2-amine

C11H16BrN — CID 117356903

IUPAC1-(3-bromo-4,5-dimethylphenyl)propan-2-amine
SMILESCc1cc(CC(C)N)cc(Br)c1C
InChIInChI=1S/C11H16BrN/c1-7-4-10(5-8(2)13)6-11(12)9(7)3/h4,6,8H,5,13H2,1-3H3
InChIKeyLPWILQDOFMMZLY-UHFFFAOYSA-N
MW242.16 g/mol
LogP2.96
Rot. Bonds2

About 1-(3-bromo-4,5-dimethylphenyl)propan-2-amine

1-(3-bromo-4,5-dimethylphenyl)propan-2-amine (PubChem CID 117356903) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 1-(3-bromo-4,5-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4,5-dimethylphenyl)propan-2-amine
PubChem CID117356903
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name1-(3-bromo-4,5-dimethylphenyl)propan-2-amine
SMILESCc1cc(CC(C)N)cc(Br)c1C
InChIInChI=1S/C11H16BrN/c1-7-4-10(5-8(2)13)6-11(12)9(7)3/h4,6,8H,5,13H2,1-3H3
InChIKeyLPWILQDOFMMZLY-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-4,5-dimethylphenyl)propan-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

1-(3-bromo-4-methylphenyl)propan-2-amine
CID 83710327
2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
CID 117398502
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 117388146
1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine
CID 84805283
5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
CID 89349116
5-(2-aminopropyl)-2-fluoro-3-methylphenol
CID 117279526
1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine
CID 117288723
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-2-methylpropanamide
CID 107739856
1-(3,5-diethylphenyl)propan-2-amine
CID 89151749
1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride
CID 168891432
1-[3,5-dibromo-4-(2-ethoxyethoxy)phenyl]propan-2-amine
CID 107739733
4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
CID 79020961

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4,5-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromo-4,5-dimethylphenyl)propan-2-amine (CID 117356903) is 1-(3-bromo-4,5-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-4,5-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-4,5-dimethylphenyl)propan-2-amine is Cc1cc(CC(C)N)cc(Br)c1C.
What is the InChIKey of 1-(3-bromo-4,5-dimethylphenyl)propan-2-amine?
The InChIKey is LPWILQDOFMMZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-7-4-10(5-8(2)13)6-11(12)9(7)3/h4,6,8H,5,13H2,1-3H3.
What are the key properties of 1-(3-bromo-4,5-dimethylphenyl)propan-2-amine?
1-(3-bromo-4,5-dimethylphenyl)propan-2-amine has a molecular weight of 242.16 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4,5-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 117356903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).