6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine

C24H24N2O2 — CID 23872682

IUPAC6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine
SMILES[H]/N=c1\ccc2c(-c3cc(C)c(OC)c(C)c3)c3ccc(N(C)C)cc3oc-2c1
InChIInChI=1S/C24H24N2O2/c1-14-10-16(11-15(2)24(14)27-5)23-19-8-6-17(25)12-21(19)28-22-13-18(26(3)4)7-9-20(22)23/h6-13,25H,1-5H3/b25-17+
InChIKeyWGCGHZHPRWLQND-KOEQRZSOSA-N
MW372.47 g/mol
LogP5.38
Rot. Bonds3

About 6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine

6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine (PubChem CID 23872682) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine.

Molecular Properties

Compound Name6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine
PubChem CID23872682
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine
SMILES[H]/N=c1\ccc2c(-c3cc(C)c(OC)c(C)c3)c3ccc(N(C)C)cc3oc-2c1
InChIInChI=1S/C24H24N2O2/c1-14-10-16(11-15(2)24(14)27-5)23-19-8-6-17(25)12-21(19)28-22-13-18(26(3)4)7-9-20(22)23/h6-13,25H,1-5H3/b25-17+
InChIKeyWGCGHZHPRWLQND-KOEQRZSOSA-N
XLogP5.38
TPSA49.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine?
The IUPAC name of 6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine (CID 23872682) is 6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine.
What is the SMILES notation for 6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine?
The canonical SMILES for 6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine is [H]/N=c1\ccc2c(-c3cc(C)c(OC)c(C)c3)c3ccc(N(C)C)cc3oc-2c1.
What is the InChIKey of 6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine?
The InChIKey is WGCGHZHPRWLQND-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-14-10-16(11-15(2)24(14)27-5)23-19-8-6-17(25)12-21(19)28-22-13-18(26(3)4)7-9-20(22)23/h6-13,25H,1-5H3/b25-17+.
What are the key properties of 6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine?
6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine has a molecular weight of 372.47 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-9-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylxanthen-3-amine is sourced from PubChem (CID 23872682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).