3-ethoxy-9H-xanthen-9-amine

C15H15NO2 — CID 20793754

IUPAC3-ethoxy-9H-xanthen-9-amine
SMILESCCOc1ccc2c(c1)Oc1ccccc1C2N
InChIInChI=1S/C15H15NO2/c1-2-17-10-7-8-12-14(9-10)18-13-6-4-3-5-11(13)15(12)16/h3-9,15H,2,16H2,1H3
InChIKeyLLMPSXJDVUDLPG-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.24
Rot. Bonds2

About 3-ethoxy-9H-xanthen-9-amine

3-ethoxy-9H-xanthen-9-amine (PubChem CID 20793754) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-ethoxy-9H-xanthen-9-amine.

Molecular Properties

Compound Name3-ethoxy-9H-xanthen-9-amine
PubChem CID20793754
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-ethoxy-9H-xanthen-9-amine
SMILESCCOc1ccc2c(c1)Oc1ccccc1C2N
InChIInChI=1S/C15H15NO2/c1-2-17-10-7-8-12-14(9-10)18-13-6-4-3-5-11(13)15(12)16/h3-9,15H,2,16H2,1H3
InChIKeyLLMPSXJDVUDLPG-UHFFFAOYSA-N
XLogP3.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-9H-xanthen-9-amine 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

9-amino-9H-xanthen-3-ol
CID 10443193
3-ethoxyphenoxathiine
CID 18687728
(4S)-2-(4-ethoxyphenyl)-4-(4-methylphenyl)-4H-chromene-3-carbaldehyde
CID 1362893
2-(3,6-dihexoxy-9H-xanthen-9-yl)benzamide
CID 56973697
9-(2,3-diethylphenyl)-9H-xanthene
CID 67026470
3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride
CID 82020766
6-ethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 79728842
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 22895103
5-ethoxy-2-methyl-1-benzofuran
CID 18726834
2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene
CID 2861131
9-methyl-9H-xanthene;propane
CID 143256907

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-9H-xanthen-9-amine?
The IUPAC name of 3-ethoxy-9H-xanthen-9-amine (CID 20793754) is 3-ethoxy-9H-xanthen-9-amine.
What is the SMILES notation for 3-ethoxy-9H-xanthen-9-amine?
The canonical SMILES for 3-ethoxy-9H-xanthen-9-amine is CCOc1ccc2c(c1)Oc1ccccc1C2N.
What is the InChIKey of 3-ethoxy-9H-xanthen-9-amine?
The InChIKey is LLMPSXJDVUDLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-17-10-7-8-12-14(9-10)18-13-6-4-3-5-11(13)15(12)16/h3-9,15H,2,16H2,1H3.
What are the key properties of 3-ethoxy-9H-xanthen-9-amine?
3-ethoxy-9H-xanthen-9-amine has a molecular weight of 241.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-9H-xanthen-9-amine is sourced from PubChem (CID 20793754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).