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

C16H20N2O — CID 115124937

IUPAC1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine
SMILESCOc1cc(C)cc(C)c1Nc1ccc(C)cc1N
InChIInChI=1S/C16H20N2O/c1-10-5-6-14(13(17)8-10)18-16-12(3)7-11(2)9-15(16)19-4/h5-9,18H,17H2,1-4H3
InChIKeyVRURXOCPVFKHGP-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.95
Rot. Bonds3

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

1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine (PubChem CID 115124937) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine
PubChem CID115124937
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine
SMILESCOc1cc(C)cc(C)c1Nc1ccc(C)cc1N
InChIInChI=1S/C16H20N2O/c1-10-5-6-14(13(17)8-10)18-16-12(3)7-11(2)9-15(16)19-4/h5-9,18H,17H2,1-4H3
InChIKeyVRURXOCPVFKHGP-UHFFFAOYSA-N
XLogP3.95
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115124927
4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 20780029
1-N-(3-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700
4-(2-amino-4-methylanilino)-3-methoxybenzonitrile
CID 104847906
N'-(2-methoxy-4,6-dimethylphenyl)methanediamine
CID 115225448
2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115126204
1-N-(2-chloro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 115124931
1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108868071
N-(2-amino-4,6-dimethylphenyl)-2-methoxybenzamide
CID 56773272
2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115550017
2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50876761
2-hydrazinyl-5-methylaniline
CID 89276855

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine (CID 115124937) is 1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine is COc1cc(C)cc(C)c1Nc1ccc(C)cc1N.
What is the InChIKey of 1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine?
The InChIKey is VRURXOCPVFKHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-5-6-14(13(17)8-10)18-16-12(3)7-11(2)9-15(16)19-4/h5-9,18H,17H2,1-4H3.
What are the key properties of 1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine?
1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 115124937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).