1-(9H-xanthen-9-ylamino)propan-2-ol

C16H17NO2 — CID 43499245

IUPAC1-(9H-xanthen-9-ylamino)propan-2-ol
SMILESCC(O)CNC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H17NO2/c1-11(18)10-17-16-12-6-2-4-8-14(12)19-15-9-5-3-7-13(15)16/h2-9,11,16-18H,10H2,1H3
InChIKeyDKGWQTWBORFKKX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.85
Rot. Bonds3

About 1-(9H-xanthen-9-ylamino)propan-2-ol

1-(9H-xanthen-9-ylamino)propan-2-ol (PubChem CID 43499245) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(9H-xanthen-9-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(9H-xanthen-9-ylamino)propan-2-ol
PubChem CID43499245
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(9H-xanthen-9-ylamino)propan-2-ol
SMILESCC(O)CNC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H17NO2/c1-11(18)10-17-16-12-6-2-4-8-14(12)19-15-9-5-3-7-13(15)16/h2-9,11,16-18H,10H2,1H3
InChIKeyDKGWQTWBORFKKX-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(9H-xanthen-9-ylamino)propan-2-ol 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 1-(9H-xanthen-9-ylamino)propan-2-ol?
The IUPAC name of 1-(9H-xanthen-9-ylamino)propan-2-ol (CID 43499245) is 1-(9H-xanthen-9-ylamino)propan-2-ol.
What is the SMILES notation for 1-(9H-xanthen-9-ylamino)propan-2-ol?
The canonical SMILES for 1-(9H-xanthen-9-ylamino)propan-2-ol is CC(O)CNC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 1-(9H-xanthen-9-ylamino)propan-2-ol?
The InChIKey is DKGWQTWBORFKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11(18)10-17-16-12-6-2-4-8-14(12)19-15-9-5-3-7-13(15)16/h2-9,11,16-18H,10H2,1H3.
What are the key properties of 1-(9H-xanthen-9-ylamino)propan-2-ol?
1-(9H-xanthen-9-ylamino)propan-2-ol has a molecular weight of 255.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-xanthen-9-ylamino)propan-2-ol is sourced from PubChem (CID 43499245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).