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

C15H22BrN — CID 114330463

IUPAC1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(CCC1CC1)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H22BrN/c1-10-8-13(9-11(2)15(10)16)14(17-3)7-6-12-4-5-12/h8-9,12,14,17H,4-7H2,1-3H3
InChIKeyQNWMEPFHJAXYCK-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.52
Rot. Bonds5

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

1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine (PubChem CID 114330463) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine
PubChem CID114330463
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(CCC1CC1)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H22BrN/c1-10-8-13(9-11(2)15(10)16)14(17-3)7-6-12-4-5-12/h8-9,12,14,17H,4-7H2,1-3H3
InChIKeyQNWMEPFHJAXYCK-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-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

1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 114330407
3-cyclopropyl-N-methyl-1-pyrimidin-5-ylpropan-1-amine
CID 102923524
3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990513
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 114330389
3-cyclohexyl-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 43484245
3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
CID 105157890
3-cyclopropyl-1-(3,6-dimethylpyridazin-4-yl)-N-methylpropan-1-amine
CID 105157733
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 114330528
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114330447
3-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)-N-methylpropan-1-amine
CID 81155888
3-cyclopropyl-1-(2-methoxy-4-methylphenyl)-N-methylpropan-1-amine
CID 106791881

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine (CID 114330463) is 1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine is CNC(CCC1CC1)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is QNWMEPFHJAXYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-10-8-13(9-11(2)15(10)16)14(17-3)7-6-12-4-5-12/h8-9,12,14,17H,4-7H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine?
1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 114330463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).