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

C17H19NO — CID 69465672

IUPAC9-ethyl-N,N-dimethyl-9H-xanthen-1-amine
SMILESCCC1c2ccccc2Oc2cccc(N(C)C)c21
InChIInChI=1S/C17H19NO/c1-4-12-13-8-5-6-10-15(13)19-16-11-7-9-14(17(12)16)18(2)3/h5-12H,4H2,1-3H3
InChIKeySPABINMEAYJYKH-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.40
Rot. Bonds2

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

9-ethyl-N,N-dimethyl-9H-xanthen-1-amine (PubChem CID 69465672) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 9-ethyl-N,N-dimethyl-9H-xanthen-1-amine.

Molecular Properties

Compound Name9-ethyl-N,N-dimethyl-9H-xanthen-1-amine
PubChem CID69465672
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name9-ethyl-N,N-dimethyl-9H-xanthen-1-amine
SMILESCCC1c2ccccc2Oc2cccc(N(C)C)c21
InChIInChI=1S/C17H19NO/c1-4-12-13-8-5-6-10-15(13)19-16-11-7-9-14(17(12)16)18(2)3/h5-12H,4H2,1-3H3
InChIKeySPABINMEAYJYKH-UHFFFAOYSA-N
XLogP4.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N,N-dimethyl-9H-xanthen-1-amine?
The IUPAC name of 9-ethyl-N,N-dimethyl-9H-xanthen-1-amine (CID 69465672) is 9-ethyl-N,N-dimethyl-9H-xanthen-1-amine.
What is the SMILES notation for 9-ethyl-N,N-dimethyl-9H-xanthen-1-amine?
The canonical SMILES for 9-ethyl-N,N-dimethyl-9H-xanthen-1-amine is CCC1c2ccccc2Oc2cccc(N(C)C)c21.
What is the InChIKey of 9-ethyl-N,N-dimethyl-9H-xanthen-1-amine?
The InChIKey is SPABINMEAYJYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-4-12-13-8-5-6-10-15(13)19-16-11-7-9-14(17(12)16)18(2)3/h5-12H,4H2,1-3H3.
What are the key properties of 9-ethyl-N,N-dimethyl-9H-xanthen-1-amine?
9-ethyl-N,N-dimethyl-9H-xanthen-1-amine has a molecular weight of 253.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N,N-dimethyl-9H-xanthen-1-amine is sourced from PubChem (CID 69465672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).