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

C16H20N2O — CID 115125930

IUPAC2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine
SMILESCOc1cc(C)c(Nc2c(C)cccc2N)cc1C
InChIInChI=1S/C16H20N2O/c1-10-6-5-7-13(17)16(10)18-14-8-12(3)15(19-4)9-11(14)2/h5-9,18H,17H2,1-4H3
InChIKeyBICCSZWAQQZTSP-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.95
Rot. Bonds3

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

2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine (PubChem CID 115125930) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine
PubChem CID115125930
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine
SMILESCOc1cc(C)c(Nc2c(C)cccc2N)cc1C
InChIInChI=1S/C16H20N2O/c1-10-6-5-7-13(17)16(10)18-14-8-12(3)15(19-4)9-11(14)2/h5-9,18H,17H2,1-4H3
InChIKeyBICCSZWAQQZTSP-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

2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115550017
1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 86003268
2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
CID 113333668
2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine
CID 115550238
2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine
CID 107633682
N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115211768
2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine
CID 115125939
3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
CID 54964711
2-N-(4-bromo-2-fluorophenyl)-3-methylbenzene-1,2-diamine
CID 115549996
2-N-(4-bromo-2,5-difluorophenyl)-3-methylbenzene-1,2-diamine
CID 107609012
2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine
CID 115550702
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine (CID 115125930) is 2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine is COc1cc(C)c(Nc2c(C)cccc2N)cc1C.
What is the InChIKey of 2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine?
The InChIKey is BICCSZWAQQZTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-6-5-7-13(17)16(10)18-14-8-12(3)15(19-4)9-11(14)2/h5-9,18H,17H2,1-4H3.
What are the key properties of 2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine?
2-N-(4-methoxy-2,5-dimethylphenyl)-3-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-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115125930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).