N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine

C22H22N2O — CID 21493496

IUPACN-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine
SMILESCCN(CCc1ccccn1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H22N2O/c1-2-24(16-14-17-9-7-8-15-23-17)22-18-10-3-5-12-20(18)25-21-13-6-4-11-19(21)22/h3-13,15,22H,2,14,16H2,1H3
InChIKeyFXCOVAWCVPPTOY-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.84
Rot. Bonds5

About N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine

N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine (PubChem CID 21493496) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine
PubChem CID21493496
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine
SMILESCCN(CCc1ccccn1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H22N2O/c1-2-24(16-14-17-9-7-8-15-23-17)22-18-10-3-5-12-20(18)25-21-13-6-4-11-19(21)22/h3-13,15,22H,2,14,16H2,1H3
InChIKeyFXCOVAWCVPPTOY-UHFFFAOYSA-N
XLogP4.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine?
The IUPAC name of N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine (CID 21493496) is N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine.
What is the SMILES notation for N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine?
The canonical SMILES for N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine is CCN(CCc1ccccn1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine?
The InChIKey is FXCOVAWCVPPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-2-24(16-14-17-9-7-8-15-23-17)22-18-10-3-5-12-20(18)25-21-13-6-4-11-19(21)22/h3-13,15,22H,2,14,16H2,1H3.
What are the key properties of N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine?
N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine has a molecular weight of 330.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine is sourced from PubChem (CID 21493496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).