9H-xanthen-9-amine

C13H11NO — CID 602451

IUPAC9H-xanthen-9-amine
SMILESNC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C13H11NO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13H,14H2
InChIKeyOTTYHRLXKGOXLY-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.84
Rot. Bonds

About 9H-xanthen-9-amine

9H-xanthen-9-amine (PubChem CID 602451) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 9H-xanthen-9-amine.

Molecular Properties

Compound Name9H-xanthen-9-amine
PubChem CID602451
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name9H-xanthen-9-amine
SMILESNC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C13H11NO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13H,14H2
InChIKeyOTTYHRLXKGOXLY-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-xanthen-9-amine?
The IUPAC name of 9H-xanthen-9-amine (CID 602451) is 9H-xanthen-9-amine.
What is the SMILES notation for 9H-xanthen-9-amine?
The canonical SMILES for 9H-xanthen-9-amine is NC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 9H-xanthen-9-amine?
The InChIKey is OTTYHRLXKGOXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13H,14H2.
What are the key properties of 9H-xanthen-9-amine?
9H-xanthen-9-amine has a molecular weight of 197.24 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-xanthen-9-amine is sourced from PubChem (CID 602451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).