9H-xanthene-3,4-diamine

C13H12N2O — CID 174775292

IUPAC9H-xanthene-3,4-diamine
SMILESNc1ccc2c(c1N)Oc1ccccc1C2
InChIInChI=1S/C13H12N2O/c14-10-6-5-9-7-8-3-1-2-4-11(8)16-13(9)12(10)15/h1-6H,7,14-15H2
InChIKeyTWWSLWUEFJABBE-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.55
Rot. Bonds

About 9H-xanthene-3,4-diamine

9H-xanthene-3,4-diamine (PubChem CID 174775292) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 9H-xanthene-3,4-diamine.

Molecular Properties

Compound Name9H-xanthene-3,4-diamine
PubChem CID174775292
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name9H-xanthene-3,4-diamine
SMILESNc1ccc2c(c1N)Oc1ccccc1C2
InChIInChI=1S/C13H12N2O/c14-10-6-5-9-7-8-3-1-2-4-11(8)16-13(9)12(10)15/h1-6H,7,14-15H2
InChIKeyTWWSLWUEFJABBE-UHFFFAOYSA-N
XLogP2.55
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9H-xanthene-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol
CID 162075419
9H-xanthene
CID 7107
9H-xanthen-4-ol
CID 12554333
4-iodo-9H-xanthene
CID 11045034
9H-xanthene-3,5-diamine
CID 70452318
8,14-dihydrochromeno[2,3-a]xanthene;ethane;methanol
CID 158360982
biphenylene;9H-xanthene
CID 69049558
dibenzo-p-dioxin-1,4-diamine
CID 45028383
13,13,14,14-tetramethyl-2-oxatetracyclo[8.6.0.03,8.012,15]hexadeca-1(16),3,5,7,10,12(15)-hexaene
CID 146512597
9H-xanthen-1-amine;hydrochloride
CID 175135192
anthracene;9H-xanthene
CID 141402821
sulfuric acid;9H-xanthene
CID 69337657

Frequently Asked Questions

What is the IUPAC name of 9H-xanthene-3,4-diamine?
The IUPAC name of 9H-xanthene-3,4-diamine (CID 174775292) is 9H-xanthene-3,4-diamine.
What is the SMILES notation for 9H-xanthene-3,4-diamine?
The canonical SMILES for 9H-xanthene-3,4-diamine is Nc1ccc2c(c1N)Oc1ccccc1C2.
What is the InChIKey of 9H-xanthene-3,4-diamine?
The InChIKey is TWWSLWUEFJABBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-10-6-5-9-7-8-3-1-2-4-11(8)16-13(9)12(10)15/h1-6H,7,14-15H2.
What are the key properties of 9H-xanthene-3,4-diamine?
9H-xanthene-3,4-diamine has a molecular weight of 212.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-xanthene-3,4-diamine is sourced from PubChem (CID 174775292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).