2-(furan-2-yl)-5-methylbenzene-1,4-diamine

C11H12N2O — CID 18798879

IUPAC2-(furan-2-yl)-5-methylbenzene-1,4-diamine
SMILESCc1cc(N)c(-c2ccco2)cc1N
InChIInChI=1S/C11H12N2O/c1-7-5-10(13)8(6-9(7)12)11-3-2-4-14-11/h2-6H,12-13H2,1H3
InChIKeyKCQCTCCXZCWXEM-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.42
Rot. Bonds1

About 2-(furan-2-yl)-5-methylbenzene-1,4-diamine

2-(furan-2-yl)-5-methylbenzene-1,4-diamine (PubChem CID 18798879) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methylbenzene-1,4-diamine
PubChem CID18798879
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(furan-2-yl)-5-methylbenzene-1,4-diamine
SMILESCc1cc(N)c(-c2ccco2)cc1N
InChIInChI=1S/C11H12N2O/c1-7-5-10(13)8(6-9(7)12)11-3-2-4-14-11/h2-6H,12-13H2,1H3
InChIKeyKCQCTCCXZCWXEM-UHFFFAOYSA-N
XLogP2.42
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(furan-2-yl)-5-methylbenzene-1,4-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-(furan-2-yl)-5-methylbenzene-1,4-diamine?
The IUPAC name of 2-(furan-2-yl)-5-methylbenzene-1,4-diamine (CID 18798879) is 2-(furan-2-yl)-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-methylbenzene-1,4-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-methylbenzene-1,4-diamine is Cc1cc(N)c(-c2ccco2)cc1N.
What is the InChIKey of 2-(furan-2-yl)-5-methylbenzene-1,4-diamine?
The InChIKey is KCQCTCCXZCWXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-5-10(13)8(6-9(7)12)11-3-2-4-14-11/h2-6H,12-13H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-methylbenzene-1,4-diamine?
2-(furan-2-yl)-5-methylbenzene-1,4-diamine has a molecular weight of 188.23 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 18798879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).