8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine

C22H22N2O — CID 22664151

IUPAC8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine
SMILESCNc1ccc2oc3ccc(NCc4ccc(C)cc4C)cc3c2c1
InChIInChI=1S/C22H22N2O/c1-14-4-5-16(15(2)10-14)13-24-18-7-9-22-20(12-18)19-11-17(23-3)6-8-21(19)25-22/h4-12,23-24H,13H2,1-3H3
InChIKeyAAUYCNWOCRXMBS-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.86
Rot. Bonds4

About 8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine

8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine (PubChem CID 22664151) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine.

Molecular Properties

Compound Name8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine
PubChem CID22664151
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine
SMILESCNc1ccc2oc3ccc(NCc4ccc(C)cc4C)cc3c2c1
InChIInChI=1S/C22H22N2O/c1-14-4-5-16(15(2)10-14)13-24-18-7-9-22-20(12-18)19-11-17(23-3)6-8-21(19)25-22/h4-12,23-24H,13H2,1-3H3
InChIKeyAAUYCNWOCRXMBS-UHFFFAOYSA-N
XLogP5.86
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine?
The IUPAC name of 8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine (CID 22664151) is 8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine.
What is the SMILES notation for 8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine?
The canonical SMILES for 8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine is CNc1ccc2oc3ccc(NCc4ccc(C)cc4C)cc3c2c1.
What is the InChIKey of 8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine?
The InChIKey is AAUYCNWOCRXMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-14-4-5-16(15(2)10-14)13-24-18-7-9-22-20(12-18)19-11-17(23-3)6-8-21(19)25-22/h4-12,23-24H,13H2,1-3H3.
What are the key properties of 8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine?
8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine has a molecular weight of 330.43 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(2,4-dimethylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine is sourced from PubChem (CID 22664151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).