N-ethyl-2,7-dimethyl-9H-xanthen-1-amine

C17H19NO — CID 174503774

IUPACN-ethyl-2,7-dimethyl-9H-xanthen-1-amine
SMILESCCNc1c(C)ccc2c1Cc1cc(C)ccc1O2
InChIInChI=1S/C17H19NO/c1-4-18-17-12(3)6-8-16-14(17)10-13-9-11(2)5-7-15(13)19-16/h5-9,18H,4,10H2,1-3H3
InChIKeyYXWNGBJHSYGRIZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.43
Rot. Bonds2

About N-ethyl-2,7-dimethyl-9H-xanthen-1-amine

N-ethyl-2,7-dimethyl-9H-xanthen-1-amine (PubChem CID 174503774) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-ethyl-2,7-dimethyl-9H-xanthen-1-amine.

Molecular Properties

Compound NameN-ethyl-2,7-dimethyl-9H-xanthen-1-amine
PubChem CID174503774
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-ethyl-2,7-dimethyl-9H-xanthen-1-amine
SMILESCCNc1c(C)ccc2c1Cc1cc(C)ccc1O2
InChIInChI=1S/C17H19NO/c1-4-18-17-12(3)6-8-16-14(17)10-13-9-11(2)5-7-15(13)19-16/h5-9,18H,4,10H2,1-3H3
InChIKeyYXWNGBJHSYGRIZ-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2,7-dimethyl-9H-xanthen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,7-dimethyl-9H-xanthen-1-amine?
The IUPAC name of N-ethyl-2,7-dimethyl-9H-xanthen-1-amine (CID 174503774) is N-ethyl-2,7-dimethyl-9H-xanthen-1-amine.
What is the SMILES notation for N-ethyl-2,7-dimethyl-9H-xanthen-1-amine?
The canonical SMILES for N-ethyl-2,7-dimethyl-9H-xanthen-1-amine is CCNc1c(C)ccc2c1Cc1cc(C)ccc1O2.
What is the InChIKey of N-ethyl-2,7-dimethyl-9H-xanthen-1-amine?
The InChIKey is YXWNGBJHSYGRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-4-18-17-12(3)6-8-16-14(17)10-13-9-11(2)5-7-15(13)19-16/h5-9,18H,4,10H2,1-3H3.
What are the key properties of N-ethyl-2,7-dimethyl-9H-xanthen-1-amine?
N-ethyl-2,7-dimethyl-9H-xanthen-1-amine has a molecular weight of 253.34 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,7-dimethyl-9H-xanthen-1-amine is sourced from PubChem (CID 174503774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).