3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine

C17H20N2 — CID 115125922

IUPAC3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
SMILESCc1cccc(N)c1Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H20N2/c1-12-5-4-8-16(18)17(12)19-15-10-9-13-6-2-3-7-14(13)11-15/h4-5,8-11,19H,2-3,6-7,18H2,1H3
InChIKeyJJIIROUQDBWGJI-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.20
Rot. Bonds2

About 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine

3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine (PubChem CID 115125922) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
PubChem CID115125922
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
SMILESCc1cccc(N)c1Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H20N2/c1-12-5-4-8-16(18)17(12)19-15-10-9-13-6-2-3-7-14(13)11-15/h4-5,8-11,19H,2-3,6-7,18H2,1H3
InChIKeyJJIIROUQDBWGJI-UHFFFAOYSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-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 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine (CID 115125922) is 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine is Cc1cccc(N)c1Nc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
The InChIKey is JJIIROUQDBWGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-5-4-8-16(18)17(12)19-15-10-9-13-6-2-3-7-14(13)11-15/h4-5,8-11,19H,2-3,6-7,18H2,1H3.
What are the key properties of 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 115125922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).