1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine

C16H20N2O — CID 115124927

IUPAC1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
SMILESCOc1c(C)cc(C)cc1Nc1ccc(C)cc1N
InChIInChI=1S/C16H20N2O/c1-10-5-6-14(13(17)8-10)18-15-9-11(2)7-12(3)16(15)19-4/h5-9,18H,17H2,1-4H3
InChIKeyVCJJTFZWPFCOOM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.95
Rot. Bonds3

About 1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine

1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine (PubChem CID 115124927) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
PubChem CID115124927
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
SMILESCOc1c(C)cc(C)cc1Nc1ccc(C)cc1N
InChIInChI=1S/C16H20N2O/c1-10-5-6-14(13(17)8-10)18-15-9-11(2)7-12(3)16(15)19-4/h5-9,18H,17H2,1-4H3
InChIKeyVCJJTFZWPFCOOM-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-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115124937
1-N-(2-chloro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 115124931
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115126204
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
methyl 3-amino-4-(2,5-dimethylanilino)benzoate
CID 61307779
4-(2-amino-4-methylanilino)-3-methoxybenzonitrile
CID 104847906
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016
1-N-(3-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700
1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
CID 43349512
N-(hydrazinylmethyl)-2-methoxy-3,5-dimethylaniline
CID 115260467

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine (CID 115124927) is 1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine is COc1c(C)cc(C)cc1Nc1ccc(C)cc1N.
What is the InChIKey of 1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine?
The InChIKey is VCJJTFZWPFCOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-5-6-14(13(17)8-10)18-15-9-11(2)7-12(3)16(15)19-4/h5-9,18H,17H2,1-4H3.
What are the key properties of 1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine?
1-N-(2-methoxy-3,5-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 1-N-(2-methoxy-3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 115124927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).