2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine

C16H20N2O — CID 115126204

IUPAC2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
SMILESCOc1cc(C)c(C)cc1Nc1cc(C)ccc1N
InChIInChI=1S/C16H20N2O/c1-10-5-6-13(17)14(7-10)18-15-8-11(2)12(3)9-16(15)19-4/h5-9,18H,17H2,1-4H3
InChIKeyNMIPCJVTBKDZID-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.95
Rot. Bonds3

About 2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine

2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine (PubChem CID 115126204) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
PubChem CID115126204
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
SMILESCOc1cc(C)c(C)cc1Nc1cc(C)ccc1N
InChIInChI=1S/C16H20N2O/c1-10-5-6-13(17)14(7-10)18-15-8-11(2)12(3)9-16(15)19-4/h5-9,18H,17H2,1-4H3
InChIKeyNMIPCJVTBKDZID-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

4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 115468524
2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554504
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532479
2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline
CID 101202824
4-chloro-5-fluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 66078169
2-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-2,3-diamine
CID 81131819
2-N-(4-aminophenyl)-4-methylbenzene-1,2-diamine;dihydrochloride
CID 70626485
2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 56636906
2-(4-chloro-2-methoxy-5-methylanilino)-4-methylbenzenecarbothioamide
CID 63513071
8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
CID 43450177
2-N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 115126339

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine (CID 115126204) is 2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine is COc1cc(C)c(C)cc1Nc1cc(C)ccc1N.
What is the InChIKey of 2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine?
The InChIKey is NMIPCJVTBKDZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-5-6-13(17)14(7-10)18-15-8-11(2)12(3)9-16(15)19-4/h5-9,18H,17H2,1-4H3.
What are the key properties of 2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine?
2-N-(2-methoxy-4,5-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 2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 115126204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).