1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine

C12H18BrN — CID 82630244

IUPAC1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine
SMILESCCC(N)c1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C12H18BrN/c1-5-10(14)11-7(2)6-8(3)12(13)9(11)4/h6,10H,5,14H2,1-4H3
InChIKeyVGIJQCKLDMOJTG-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.78
Rot. Bonds2

About 1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine

1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine (PubChem CID 82630244) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine
PubChem CID82630244
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine
SMILESCCC(N)c1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C12H18BrN/c1-5-10(14)11-7(2)6-8(3)12(13)9(11)4/h6,10H,5,14H2,1-4H3
InChIKeyVGIJQCKLDMOJTG-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-2,4,6-trimethylphenyl)propan-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine?
The IUPAC name of 1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine (CID 82630244) is 1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine?
The canonical SMILES for 1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine is CCC(N)c1c(C)cc(C)c(Br)c1C.
What is the InChIKey of 1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine?
The InChIKey is VGIJQCKLDMOJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-5-10(14)11-7(2)6-8(3)12(13)9(11)4/h6,10H,5,14H2,1-4H3.
What are the key properties of 1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine?
1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine has a molecular weight of 256.19 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 82630244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).