1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine

C17H20N2 — CID 79742002

IUPAC1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCc1ccccc1N(C)C1CCc2cc(N)ccc21
InChIInChI=1S/C17H20N2/c1-12-5-3-4-6-16(12)19(2)17-10-7-13-11-14(18)8-9-15(13)17/h3-6,8-9,11,17H,7,10,18H2,1-2H3
InChIKeyIEYJJXLJDRXLAP-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.70
Rot. Bonds2

About 1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79742002) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79742002
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCc1ccccc1N(C)C1CCc2cc(N)ccc21
InChIInChI=1S/C17H20N2/c1-12-5-3-4-6-16(12)19(2)17-10-7-13-11-14(18)8-9-15(13)17/h3-6,8-9,11,17H,7,10,18H2,1-2H3
InChIKeyIEYJJXLJDRXLAP-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-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-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79742002) is 1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine is Cc1ccccc1N(C)C1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is IEYJJXLJDRXLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-5-3-4-6-16(12)19(2)17-10-7-13-11-14(18)8-9-15(13)17/h3-6,8-9,11,17H,7,10,18H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79742002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).