3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine

C16H20N2O — CID 117040924

IUPAC3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine
SMILESCOc1cc(C)cc(C)c1N(C)c1cccc(N)c1
InChIInChI=1S/C16H20N2O/c1-11-8-12(2)16(15(9-11)19-4)18(3)14-7-5-6-13(17)10-14/h5-10H,17H2,1-4H3
InChIKeyNMOOKOCGUQCMGO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.66
Rot. Bonds3

About 3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine

3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine (PubChem CID 117040924) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine
PubChem CID117040924
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine
SMILESCOc1cc(C)cc(C)c1N(C)c1cccc(N)c1
InChIInChI=1S/C16H20N2O/c1-11-8-12(2)16(15(9-11)19-4)18(3)14-7-5-6-13(17)10-14/h5-10H,17H2,1-4H3
InChIKeyNMOOKOCGUQCMGO-UHFFFAOYSA-N
XLogP3.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine (CID 117040924) is 3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine is COc1cc(C)cc(C)c1N(C)c1cccc(N)c1.
What is the InChIKey of 3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine?
The InChIKey is NMOOKOCGUQCMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-8-12(2)16(15(9-11)19-4)18(3)14-7-5-6-13(17)10-14/h5-10H,17H2,1-4H3.
What are the key properties of 3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine?
3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 117040924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).