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

C10H16N2O2 — CID 68606067

IUPAC4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCOc1cc(N)c(N(C)C)cc1OC
InChIInChI=1S/C10H16N2O2/c1-12(2)8-6-10(14-4)9(13-3)5-7(8)11/h5-6H,11H2,1-4H3
InChIKeyGKWVVCYJKXZCTP-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.35
Rot. Bonds3

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

4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 68606067) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID68606067
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCOc1cc(N)c(N(C)C)cc1OC
InChIInChI=1S/C10H16N2O2/c1-12(2)8-6-10(14-4)9(13-3)5-7(8)11/h5-6H,11H2,1-4H3
InChIKeyGKWVVCYJKXZCTP-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54032840
4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 83000799
4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine
CID 83001687
2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine
CID 130552429
4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
CID 30029908
1-(2-amino-4,5-dimethoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 83001363
2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
CID 83001040
4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592378
CID 134890786
CID 134890786
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 83001129
2-amino-4,5-dimethoxy-N-methylbenzohydrazide
CID 145124941

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine (CID 68606067) is 4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine is COc1cc(N)c(N(C)C)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is GKWVVCYJKXZCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12(2)8-6-10(14-4)9(13-3)5-7(8)11/h5-6H,11H2,1-4H3.
What are the key properties of 4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine?
4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 196.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 68606067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).