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

C23H23NO — CID 69465169

IUPACN,N-diethyl-9-phenyl-9H-xanthen-1-amine
SMILESCCN(CC)c1cccc2c1C(c1ccccc1)c1ccccc1O2
InChIInChI=1S/C23H23NO/c1-3-24(4-2)19-14-10-16-21-23(19)22(17-11-6-5-7-12-17)18-13-8-9-15-20(18)25-21/h5-16,22H,3-4H2,1-2H3
InChIKeyBDODMZKDRMRHOG-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.82
Rot. Bonds4

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

N,N-diethyl-9-phenyl-9H-xanthen-1-amine (PubChem CID 69465169) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is N,N-diethyl-9-phenyl-9H-xanthen-1-amine.

Molecular Properties

Compound NameN,N-diethyl-9-phenyl-9H-xanthen-1-amine
PubChem CID69465169
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC NameN,N-diethyl-9-phenyl-9H-xanthen-1-amine
SMILESCCN(CC)c1cccc2c1C(c1ccccc1)c1ccccc1O2
InChIInChI=1S/C23H23NO/c1-3-24(4-2)19-14-10-16-21-23(19)22(17-11-6-5-7-12-17)18-13-8-9-15-20(18)25-21/h5-16,22H,3-4H2,1-2H3
InChIKeyBDODMZKDRMRHOG-UHFFFAOYSA-N
XLogP5.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.82
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-phenyl-9H-xanthen-1-amine?
The IUPAC name of N,N-diethyl-9-phenyl-9H-xanthen-1-amine (CID 69465169) is N,N-diethyl-9-phenyl-9H-xanthen-1-amine.
What is the SMILES notation for N,N-diethyl-9-phenyl-9H-xanthen-1-amine?
The canonical SMILES for N,N-diethyl-9-phenyl-9H-xanthen-1-amine is CCN(CC)c1cccc2c1C(c1ccccc1)c1ccccc1O2.
What is the InChIKey of N,N-diethyl-9-phenyl-9H-xanthen-1-amine?
The InChIKey is BDODMZKDRMRHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-3-24(4-2)19-14-10-16-21-23(19)22(17-11-6-5-7-12-17)18-13-8-9-15-20(18)25-21/h5-16,22H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-9-phenyl-9H-xanthen-1-amine?
N,N-diethyl-9-phenyl-9H-xanthen-1-amine has a molecular weight of 329.44 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-phenyl-9H-xanthen-1-amine is sourced from PubChem (CID 69465169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).