1-N-methoxy-4-methylbenzene-1,3-diamine

C8H12N2O — CID 87287100

IUPAC1-N-methoxy-4-methylbenzene-1,3-diamine
SMILESCONc1ccc(C)c(N)c1
InChIInChI=1S/C8H12N2O/c1-6-3-4-7(10-11-2)5-8(6)9/h3-5,10H,9H2,1-2H3
InChIKeyCQQVWORERCDBRX-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.55
Rot. Bonds2

About 1-N-methoxy-4-methylbenzene-1,3-diamine

1-N-methoxy-4-methylbenzene-1,3-diamine (PubChem CID 87287100) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-N-methoxy-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-methoxy-4-methylbenzene-1,3-diamine
PubChem CID87287100
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-N-methoxy-4-methylbenzene-1,3-diamine
SMILESCONc1ccc(C)c(N)c1
InChIInChI=1S/C8H12N2O/c1-6-3-4-7(10-11-2)5-8(6)9/h3-5,10H,9H2,1-2H3
InChIKeyCQQVWORERCDBRX-UHFFFAOYSA-N
XLogP1.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methoxy-3,4-dimethylaniline
CID 144566658
1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
CID 62911609
1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55130746
methyl 3-(3-amino-4-methylanilino)propanoate
CID 62911969
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261
4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059164
4-methyl-1-N-(trioxidanylsulfanylmethyl)benzene-1,3-diamine
CID 21056335
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
N-(3-amino-4-methylphenyl)methanesulfinamide
CID 130920981
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994

Frequently Asked Questions

What is the IUPAC name of 1-N-methoxy-4-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-methoxy-4-methylbenzene-1,3-diamine (CID 87287100) is 1-N-methoxy-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-methoxy-4-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-methoxy-4-methylbenzene-1,3-diamine is CONc1ccc(C)c(N)c1.
What is the InChIKey of 1-N-methoxy-4-methylbenzene-1,3-diamine?
The InChIKey is CQQVWORERCDBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-3-4-7(10-11-2)5-8(6)9/h3-5,10H,9H2,1-2H3.
What are the key properties of 1-N-methoxy-4-methylbenzene-1,3-diamine?
1-N-methoxy-4-methylbenzene-1,3-diamine has a molecular weight of 152.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methoxy-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 87287100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).