2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine

C10H16N2O2 — CID 130552429

IUPAC2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine
SMILESCOc1cc(N(C)OC)c(N)cc1C
InChIInChI=1S/C10H16N2O2/c1-7-5-8(11)9(12(2)14-4)6-10(7)13-3/h5-6H,11H2,1-4H3
InChIKeyWXVYQFJMUWLQQC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.58
Rot. Bonds3

About 2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine

2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine (PubChem CID 130552429) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine
PubChem CID130552429
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine
SMILESCOc1cc(N(C)OC)c(N)cc1C
InChIInChI=1S/C10H16N2O2/c1-7-5-8(11)9(12(2)14-4)6-10(7)13-3/h5-6H,11H2,1-4H3
InChIKeyWXVYQFJMUWLQQC-UHFFFAOYSA-N
XLogP1.58
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
CID 68606067
2-fluoro-4-methoxy-5-methylaniline
CID 89371124
4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine
CID 130542259
4-bromo-1-N-(4-methoxy-2,5-dimethylphenyl)-1-N-methylbenzene-1,2-diamine
CID 115125378
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
CID 146675441
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166080
4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 83000799
N,N-diethyl-2,5-dimethoxy-4-methylaniline
CID 59791351
4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine
CID 83001687
N-(2-chloroethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115214731

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine (CID 130552429) is 2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine is COc1cc(N(C)OC)c(N)cc1C.
What is the InChIKey of 2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine?
The InChIKey is WXVYQFJMUWLQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-5-8(11)9(12(2)14-4)6-10(7)13-3/h5-6H,11H2,1-4H3.
What are the key properties of 2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine?
2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine has a molecular weight of 196.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 130552429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).