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

C12H18BrN — CID 84805283

IUPAC1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine
SMILESCc1cc(CC(C)(C)N)cc(Br)c1C
InChIInChI=1S/C12H18BrN/c1-8-5-10(7-12(3,4)14)6-11(13)9(8)2/h5-6H,7,14H2,1-4H3
InChIKeyABXPFBGFWMDIDD-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.35
Rot. Bonds2

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

1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine (PubChem CID 84805283) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine
PubChem CID84805283
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine
SMILESCc1cc(CC(C)(C)N)cc(Br)c1C
InChIInChI=1S/C12H18BrN/c1-8-5-10(7-12(3,4)14)6-11(13)9(8)2/h5-6H,7,14H2,1-4H3
InChIKeyABXPFBGFWMDIDD-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-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-4,5-dimethylphenyl)propan-2-amine
CID 117356903
1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 117404058
1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 84807348
4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol
CID 117398550
1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine
CID 84803552
1-(3-bromo-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 84805284
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
CID 23109614
1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine
CID 117478728
4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol
CID 117466873
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine (CID 84805283) is 1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine is Cc1cc(CC(C)(C)N)cc(Br)c1C.
What is the InChIKey of 1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine?
The InChIKey is ABXPFBGFWMDIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-8-5-10(7-12(3,4)14)6-11(13)9(8)2/h5-6H,7,14H2,1-4H3.
What are the key properties of 1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine?
1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine has a molecular weight of 256.19 g/mol, XLogP of 3.35, 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)-2-methylpropan-2-amine is sourced from PubChem (CID 84805283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).