3-(3,5-dimethylphenyl)-N-methylpropan-1-amine

C12H19N — CID 54776136

IUPAC3-(3,5-dimethylphenyl)-N-methylpropan-1-amine
SMILESCNCCCc1cc(C)cc(C)c1
InChIInChI=1S/C12H19N/c1-10-7-11(2)9-12(8-10)5-4-6-13-3/h7-9,13H,4-6H2,1-3H3
InChIKeyZRCOTQTZSRNIPV-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.46
Rot. Bonds4

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

3-(3,5-dimethylphenyl)-N-methylpropan-1-amine (PubChem CID 54776136) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-N-methylpropan-1-amine
PubChem CID54776136
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-(3,5-dimethylphenyl)-N-methylpropan-1-amine
SMILESCNCCCc1cc(C)cc(C)c1
InChIInChI=1S/C12H19N/c1-10-7-11(2)9-12(8-10)5-4-6-13-3/h7-9,13H,4-6H2,1-3H3
InChIKeyZRCOTQTZSRNIPV-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3,5-dimethylphenyl)-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-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene
CID 22920116
N-methyl-3-(4-methylphenyl)propan-1-amine
CID 10953856
3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 55111544
2-(3,5-dimethylphenyl)ethylhydrazine
CID 53402680
2-methyl-5-[3-(methylamino)propyl]phenol
CID 83696087
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528
3-(3,5-dimethylphenyl)-N-[3-[3-[(3,5-dimethylphenyl)methylamino]propyldisulfanyl]propyl]propan-1-amine
CID 58764382
3-(4-bromo-3-methylphenyl)-N-methylpropan-1-amine
CID 82293297
4-[3-(methylamino)propyl]benzene-1,2-diol
CID 14515291
1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine
CID 83908581
bromo-[3-(3,5-dimethylphenyl)propyl]phosphane
CID 168765267
1,3-dimethyl-5-pent-4-ynylbenzene
CID 134966774

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylphenyl)-N-methylpropan-1-amine (CID 54776136) is 3-(3,5-dimethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-N-methylpropan-1-amine is CNCCCc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-N-methylpropan-1-amine?
The InChIKey is ZRCOTQTZSRNIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10-7-11(2)9-12(8-10)5-4-6-13-3/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-N-methylpropan-1-amine?
3-(3,5-dimethylphenyl)-N-methylpropan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 54776136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).