3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine

C10H16N2O2 — CID 167734117

IUPAC3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCNc1c(N)cccc1OC
InChIInChI=1S/C10H16N2O2/c1-13-7-6-12-10-8(11)4-3-5-9(10)14-2/h3-5,12H,6-7,11H2,1-2H3
InChIKeyAUKGDDZXRHAIRF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.34
Rot. Bonds5

About 3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine

3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine (PubChem CID 167734117) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine
PubChem CID167734117
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCNc1c(N)cccc1OC
InChIInChI=1S/C10H16N2O2/c1-13-7-6-12-10-8(11)4-3-5-9(10)14-2/h3-5,12H,6-7,11H2,1-2H3
InChIKeyAUKGDDZXRHAIRF-UHFFFAOYSA-N
XLogP1.34
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-(2-methoxyethyl)-6-methylaniline
CID 131854932
3-fluoro-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255758
3-amino-2-(2-methoxyethylamino)benzoic acid
CID 112577611
3-methoxy-2-[2-(2-methoxyethoxy)ethylamino]benzonitrile
CID 107467475
3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine
CID 143666027
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 116811010
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
1-N-(2-methoxyethyl)isoquinoline-1,5-diamine
CID 82570231
2,6-dimethoxyaniline;ethane
CID 145233133
N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline
CID 11120659
6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148143

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine (CID 167734117) is 3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine is COCCNc1c(N)cccc1OC.
What is the InChIKey of 3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine?
The InChIKey is AUKGDDZXRHAIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-13-7-6-12-10-8(11)4-3-5-9(10)14-2/h3-5,12H,6-7,11H2,1-2H3.
What are the key properties of 3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine?
3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine has a molecular weight of 196.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 167734117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).