4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine

C10H17N3O — CID 22167701

IUPAC4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine
SMILESCN(C)CCOc1ccc(N)c(N)c1
InChIInChI=1S/C10H17N3O/c1-13(2)5-6-14-8-3-4-9(11)10(12)7-8/h3-4,7H,5-6,11-12H2,1-2H3
InChIKeyFOQMUVRIBLMRNQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.79
Rot. Bonds4

About 4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine

4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine (PubChem CID 22167701) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine
PubChem CID22167701
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine
SMILESCN(C)CCOc1ccc(N)c(N)c1
InChIInChI=1S/C10H17N3O/c1-13(2)5-6-14-8-3-4-9(11)10(12)7-8/h3-4,7H,5-6,11-12H2,1-2H3
InChIKeyFOQMUVRIBLMRNQ-UHFFFAOYSA-N
XLogP0.79
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine (CID 22167701) is 4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine is CN(C)CCOc1ccc(N)c(N)c1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine?
The InChIKey is FOQMUVRIBLMRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13(2)5-6-14-8-3-4-9(11)10(12)7-8/h3-4,7H,5-6,11-12H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine?
4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine is sourced from PubChem (CID 22167701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).