2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine

C12H20N2 — CID 82505025

IUPAC2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine
SMILESCc1cc(C)c(NC(C)CN)c(C)c1
InChIInChI=1S/C12H20N2/c1-8-5-9(2)12(10(3)6-8)14-11(4)7-13/h5-6,11,14H,7,13H2,1-4H3
InChIKeyJCYFIHOKLYISFB-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.37
Rot. Bonds3

About 2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine

2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine (PubChem CID 82505025) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine
PubChem CID82505025
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine
SMILESCc1cc(C)c(NC(C)CN)c(C)c1
InChIInChI=1S/C12H20N2/c1-8-5-9(2)12(10(3)6-8)14-11(4)7-13/h5-6,11,14H,7,13H2,1-4H3
InChIKeyJCYFIHOKLYISFB-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine 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 2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine (CID 82505025) is 2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine is Cc1cc(C)c(NC(C)CN)c(C)c1.
What is the InChIKey of 2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine?
The InChIKey is JCYFIHOKLYISFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8-5-9(2)12(10(3)6-8)14-11(4)7-13/h5-6,11,14H,7,13H2,1-4H3.
What are the key properties of 2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine?
2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 82505025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).