1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine

C15H19N3 — CID 174683796

IUPAC1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine
SMILESCc1ccc(CC(N)(N)c2ccccc2C)cn1
InChIInChI=1S/C15H19N3/c1-11-5-3-4-6-14(11)15(16,17)9-13-8-7-12(2)18-10-13/h3-8,10H,9,16-17H2,1-2H3
InChIKeyJBSUUHYTDKQMJV-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.01
Rot. Bonds3

About 1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine

1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine (PubChem CID 174683796) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine
PubChem CID174683796
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine
SMILESCc1ccc(CC(N)(N)c2ccccc2C)cn1
InChIInChI=1S/C15H19N3/c1-11-5-3-4-6-14(11)15(16,17)9-13-8-7-12(2)18-10-13/h3-8,10H,9,16-17H2,1-2H3
InChIKeyJBSUUHYTDKQMJV-UHFFFAOYSA-N
XLogP2.01
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-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 1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine?
The IUPAC name of 1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine (CID 174683796) is 1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine.
What is the SMILES notation for 1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine?
The canonical SMILES for 1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine is Cc1ccc(CC(N)(N)c2ccccc2C)cn1.
What is the InChIKey of 1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine?
The InChIKey is JBSUUHYTDKQMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-5-3-4-6-14(11)15(16,17)9-13-8-7-12(2)18-10-13/h3-8,10H,9,16-17H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine?
1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine is sourced from PubChem (CID 174683796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).