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

C11H19N3O — CID 89324930

IUPAC5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cc(OCCN(C)C)cc1N
InChIInChI=1S/C11H19N3O/c1-8-10(12)6-9(7-11(8)13)15-5-4-14(2)3/h6-7H,4-5,12-13H2,1-3H3
InChIKeyMFRPTTOSIIFATD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.10
Rot. Bonds4

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

5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine (PubChem CID 89324930) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine
PubChem CID89324930
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cc(OCCN(C)C)cc1N
InChIInChI=1S/C11H19N3O/c1-8-10(12)6-9(7-11(8)13)15-5-4-14(2)3/h6-7H,4-5,12-13H2,1-3H3
InChIKeyMFRPTTOSIIFATD-UHFFFAOYSA-N
XLogP1.10
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.10
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]benzene-1,3-diamine
CID 68840526
3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline
CID 166159167
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548
3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline
CID 67496300
6-[2-(dimethylamino)ethoxy]-5-methylpyrimidin-4-amine
CID 80871385
2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine
CID 164836094
6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine
CID 71104249
4-[3-[2-(dimethylamino)ethoxy]phenyl]sulfanylbenzene-1,2-diamine
CID 21451762
2-[2-(dimethylamino)ethoxy]-5-iodoaniline
CID 66081959

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine (CID 89324930) is 5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine is Cc1c(N)cc(OCCN(C)C)cc1N.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine?
The InChIKey is MFRPTTOSIIFATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-10(12)6-9(7-11(8)13)15-5-4-14(2)3/h6-7H,4-5,12-13H2,1-3H3.
What are the key properties of 5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine?
5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine has a molecular weight of 209.29 g/mol, XLogP of 1.10, 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]-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 89324930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).