N-(oxolan-3-yl)-9H-xanthen-9-amine

C17H17NO2 — CID 80718486

IUPACN-(oxolan-3-yl)-9H-xanthen-9-amine
SMILESc1ccc2c(c1)Oc1ccccc1C2NC1CCOC1
InChIInChI=1S/C17H17NO2/c1-3-7-15-13(5-1)17(18-12-9-10-19-11-12)14-6-2-4-8-16(14)20-15/h1-8,12,17-18H,9-11H2
InChIKeyXSHHKRGMKWKTAN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.26
Rot. Bonds2

About N-(oxolan-3-yl)-9H-xanthen-9-amine

N-(oxolan-3-yl)-9H-xanthen-9-amine (PubChem CID 80718486) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(oxolan-3-yl)-9H-xanthen-9-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-9H-xanthen-9-amine
PubChem CID80718486
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-(oxolan-3-yl)-9H-xanthen-9-amine
SMILESc1ccc2c(c1)Oc1ccccc1C2NC1CCOC1
InChIInChI=1S/C17H17NO2/c1-3-7-15-13(5-1)17(18-12-9-10-19-11-12)14-6-2-4-8-16(14)20-15/h1-8,12,17-18H,9-11H2
InChIKeyXSHHKRGMKWKTAN-UHFFFAOYSA-N
XLogP3.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-9H-xanthen-9-amine?
The IUPAC name of N-(oxolan-3-yl)-9H-xanthen-9-amine (CID 80718486) is N-(oxolan-3-yl)-9H-xanthen-9-amine.
What is the SMILES notation for N-(oxolan-3-yl)-9H-xanthen-9-amine?
The canonical SMILES for N-(oxolan-3-yl)-9H-xanthen-9-amine is c1ccc2c(c1)Oc1ccccc1C2NC1CCOC1.
What is the InChIKey of N-(oxolan-3-yl)-9H-xanthen-9-amine?
The InChIKey is XSHHKRGMKWKTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-7-15-13(5-1)17(18-12-9-10-19-11-12)14-6-2-4-8-16(14)20-15/h1-8,12,17-18H,9-11H2.
What are the key properties of N-(oxolan-3-yl)-9H-xanthen-9-amine?
N-(oxolan-3-yl)-9H-xanthen-9-amine has a molecular weight of 267.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-9H-xanthen-9-amine is sourced from PubChem (CID 80718486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).