9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine

C20H15FN2O — CID 23757997

IUPAC9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine
SMILES[H]/N=c1\ccc2c(-c3ccc(F)c(C)c3)c3ccc(N)cc3oc-2c1
InChIInChI=1S/C20H15FN2O/c1-11-8-12(2-7-17(11)21)20-15-5-3-13(22)9-18(15)24-19-10-14(23)4-6-16(19)20/h2-10,22H,23H2,1H3/b22-13+
InChIKeyHDJAHKFCCPHVQA-LPYMAVHISA-N
MW318.35 g/mol
LogP4.71
Rot. Bonds1

About 9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine

9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine (PubChem CID 23757997) has the molecular formula C20H15FN2O and a molecular weight of 318.35 g/mol. Its IUPAC name is 9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine.

Molecular Properties

Compound Name9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine
PubChem CID23757997
Molecular FormulaC20H15FN2O
Molecular Weight318.35 g/mol
Exact Mass318.12
IUPAC Name9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine
SMILES[H]/N=c1\ccc2c(-c3ccc(F)c(C)c3)c3ccc(N)cc3oc-2c1
InChIInChI=1S/C20H15FN2O/c1-11-8-12(2-7-17(11)21)20-15-5-3-13(22)9-18(15)24-19-10-14(23)4-6-16(19)20/h2-10,22H,23H2,1H3/b22-13+
InChIKeyHDJAHKFCCPHVQA-LPYMAVHISA-N
XLogP4.71
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine?
The IUPAC name of 9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine (CID 23757997) is 9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine.
What is the SMILES notation for 9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine?
The canonical SMILES for 9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine is [H]/N=c1\ccc2c(-c3ccc(F)c(C)c3)c3ccc(N)cc3oc-2c1.
What is the InChIKey of 9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine?
The InChIKey is HDJAHKFCCPHVQA-LPYMAVHISA-N. The full InChI is InChI=1S/C20H15FN2O/c1-11-8-12(2-7-17(11)21)20-15-5-3-13(22)9-18(15)24-19-10-14(23)4-6-16(19)20/h2-10,22H,23H2,1H3/b22-13+.
What are the key properties of 9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine?
9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine has a molecular weight of 318.35 g/mol, XLogP of 4.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine is sourced from PubChem (CID 23757997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).