9H-xanthen-9-ylmethanamine

C14H13NO — CID 15645577

IUPAC9H-xanthen-9-ylmethanamine
SMILESNCC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H13NO/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H,9,15H2
InChIKeyVYDDHEPARBFMGU-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.88
Rot. Bonds1

About 9H-xanthen-9-ylmethanamine

9H-xanthen-9-ylmethanamine (PubChem CID 15645577) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 9H-xanthen-9-ylmethanamine.

Molecular Properties

Compound Name9H-xanthen-9-ylmethanamine
PubChem CID15645577
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name9H-xanthen-9-ylmethanamine
SMILESNCC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H13NO/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H,9,15H2
InChIKeyVYDDHEPARBFMGU-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-xanthen-9-ylmethanamine?
The IUPAC name of 9H-xanthen-9-ylmethanamine (CID 15645577) is 9H-xanthen-9-ylmethanamine.
What is the SMILES notation for 9H-xanthen-9-ylmethanamine?
The canonical SMILES for 9H-xanthen-9-ylmethanamine is NCC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 9H-xanthen-9-ylmethanamine?
The InChIKey is VYDDHEPARBFMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H,9,15H2.
What are the key properties of 9H-xanthen-9-ylmethanamine?
9H-xanthen-9-ylmethanamine has a molecular weight of 211.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-xanthen-9-ylmethanamine is sourced from PubChem (CID 15645577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).