N,N-diethyl-9-methyl-9H-xanthen-1-amine

C18H21NO — CID 69463220

IUPACN,N-diethyl-9-methyl-9H-xanthen-1-amine
SMILESCCN(CC)c1cccc2c1C(C)c1ccccc1O2
InChIInChI=1S/C18H21NO/c1-4-19(5-2)15-10-8-12-17-18(15)13(3)14-9-6-7-11-16(14)20-17/h6-13H,4-5H2,1-3H3
InChIKeyGBDVKGJYEFSMAI-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.79
Rot. Bonds3

About N,N-diethyl-9-methyl-9H-xanthen-1-amine

N,N-diethyl-9-methyl-9H-xanthen-1-amine (PubChem CID 69463220) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N,N-diethyl-9-methyl-9H-xanthen-1-amine.

Molecular Properties

Compound NameN,N-diethyl-9-methyl-9H-xanthen-1-amine
PubChem CID69463220
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN,N-diethyl-9-methyl-9H-xanthen-1-amine
SMILESCCN(CC)c1cccc2c1C(C)c1ccccc1O2
InChIInChI=1S/C18H21NO/c1-4-19(5-2)15-10-8-12-17-18(15)13(3)14-9-6-7-11-16(14)20-17/h6-13H,4-5H2,1-3H3
InChIKeyGBDVKGJYEFSMAI-UHFFFAOYSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-9-methyl-9H-xanthen-1-amine?
The IUPAC name of N,N-diethyl-9-methyl-9H-xanthen-1-amine (CID 69463220) is N,N-diethyl-9-methyl-9H-xanthen-1-amine.
What is the SMILES notation for N,N-diethyl-9-methyl-9H-xanthen-1-amine?
The canonical SMILES for N,N-diethyl-9-methyl-9H-xanthen-1-amine is CCN(CC)c1cccc2c1C(C)c1ccccc1O2.
What is the InChIKey of N,N-diethyl-9-methyl-9H-xanthen-1-amine?
The InChIKey is GBDVKGJYEFSMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-19(5-2)15-10-8-12-17-18(15)13(3)14-9-6-7-11-16(14)20-17/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-9-methyl-9H-xanthen-1-amine?
N,N-diethyl-9-methyl-9H-xanthen-1-amine has a molecular weight of 267.37 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-methyl-9H-xanthen-1-amine is sourced from PubChem (CID 69463220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).