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

C21H20N2O — CID 21493495

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine
SMILESCN(CCc1ccccn1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H20N2O/c1-23(15-13-16-8-6-7-14-22-16)21-17-9-2-4-11-19(17)24-20-12-5-3-10-18(20)21/h2-12,14,21H,13,15H2,1H3
InChIKeyNSHLQHCEYOWSNY-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.45
Rot. Bonds4

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

N-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine (PubChem CID 21493495) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine
PubChem CID21493495
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine
SMILESCN(CCc1ccccn1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H20N2O/c1-23(15-13-16-8-6-7-14-22-16)21-17-9-2-4-11-19(17)24-20-12-5-3-10-18(20)21/h2-12,14,21H,13,15H2,1H3
InChIKeyNSHLQHCEYOWSNY-UHFFFAOYSA-N
XLogP4.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine (CID 21493495) is N-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine is CN(CCc1ccccn1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine?
The InChIKey is NSHLQHCEYOWSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-23(15-13-16-8-6-7-14-22-16)21-17-9-2-4-11-19(17)24-20-12-5-3-10-18(20)21/h2-12,14,21H,13,15H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine?
N-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine has a molecular weight of 316.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-2-ylethyl)-9H-xanthen-9-amine is sourced from PubChem (CID 21493495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).