N-phenyl-9H-xanthen-9-amine

C19H15NO — CID 11022068

IUPACN-phenyl-9H-xanthen-9-amine
SMILESc1ccc(NC2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H15NO/c1-2-8-14(9-3-1)20-19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13,19-20H
InChIKeyYHRLDEYGQCIRLO-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.99
Rot. Bonds2

About N-phenyl-9H-xanthen-9-amine

N-phenyl-9H-xanthen-9-amine (PubChem CID 11022068) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is N-phenyl-9H-xanthen-9-amine.

Molecular Properties

Compound NameN-phenyl-9H-xanthen-9-amine
PubChem CID11022068
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC NameN-phenyl-9H-xanthen-9-amine
SMILESc1ccc(NC2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H15NO/c1-2-8-14(9-3-1)20-19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13,19-20H
InChIKeyYHRLDEYGQCIRLO-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-9H-xanthen-9-amine?
The IUPAC name of N-phenyl-9H-xanthen-9-amine (CID 11022068) is N-phenyl-9H-xanthen-9-amine.
What is the SMILES notation for N-phenyl-9H-xanthen-9-amine?
The canonical SMILES for N-phenyl-9H-xanthen-9-amine is c1ccc(NC2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-phenyl-9H-xanthen-9-amine?
The InChIKey is YHRLDEYGQCIRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c1-2-8-14(9-3-1)20-19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13,19-20H.
What are the key properties of N-phenyl-9H-xanthen-9-amine?
N-phenyl-9H-xanthen-9-amine has a molecular weight of 273.34 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9H-xanthen-9-amine is sourced from PubChem (CID 11022068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).