5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine

C10H17N3O — CID 68840526

IUPAC5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine
SMILESCN(C)CCOc1cc(N)cc(N)c1
InChIInChI=1S/C10H17N3O/c1-13(2)3-4-14-10-6-8(11)5-9(12)7-10/h5-7H,3-4,11-12H2,1-2H3
InChIKeyABDVKCFGJPXRCY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.79
Rot. Bonds4

About 5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine

5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine (PubChem CID 68840526) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine
PubChem CID68840526
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine
SMILESCN(C)CCOc1cc(N)cc(N)c1
InChIInChI=1S/C10H17N3O/c1-13(2)3-4-14-10-6-8(11)5-9(12)7-10/h5-7H,3-4,11-12H2,1-2H3
InChIKeyABDVKCFGJPXRCY-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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Related Compounds

5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine
CID 89324930
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline
CID 67496300
3-[2-(diethylamino)ethoxy]-5-methoxyaniline
CID 80748413
2-chloro-6-[2-(dimethylamino)ethoxy]pyridin-4-amine
CID 71302501
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 102991192
3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline
CID 166159167
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
4-[3-[2-(dimethylamino)ethoxy]phenyl]sulfanylbenzene-1,2-diamine
CID 21451762
3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline
CID 102739743
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine (CID 68840526) is 5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine is CN(C)CCOc1cc(N)cc(N)c1.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine?
The InChIKey is ABDVKCFGJPXRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13(2)3-4-14-10-6-8(11)5-9(12)7-10/h5-7H,3-4,11-12H2,1-2H3.
What are the key properties of 5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine?
5-[2-(dimethylamino)ethoxy]benzene-1,3-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 5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine is sourced from PubChem (CID 68840526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).