4-(2-aminoethoxy)-2-methylaniline;dihydrochloride

C9H16Cl2N2O — CID 164607051

IUPAC4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
SMILESCc1cc(OCCN)ccc1N.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-7-6-8(12-5-4-10)2-3-9(7)11;;/h2-3,6H,4-5,10-11H2,1H3;2*1H
InChIKeyJRUFGFJEBJMVEJ-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.76
Rot. Bonds3

About 4-(2-aminoethoxy)-2-methylaniline;dihydrochloride

4-(2-aminoethoxy)-2-methylaniline;dihydrochloride (PubChem CID 164607051) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-2-methylaniline;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
PubChem CID164607051
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
SMILESCc1cc(OCCN)ccc1N.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-7-6-8(12-5-4-10)2-3-9(7)11;;/h2-3,6H,4-5,10-11H2,1H3;2*1H
InChIKeyJRUFGFJEBJMVEJ-UHFFFAOYSA-N
XLogP1.76
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-aminoethoxy)-2-methylaniline;dihydrochloride 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

4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-(5-aminopentoxy)-2-methylaniline
CID 164576762
4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
CID 39379204
2-methyl-4-nonoxyaniline
CID 43128997
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
2-methyl-4-(4-methylpentoxy)aniline
CID 43436417
2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
CID 61069192
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285
4-(methoxymethoxy)-2-methylaniline
CID 14883323
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride
CID 155822229

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-2-methylaniline;dihydrochloride?
The IUPAC name of 4-(2-aminoethoxy)-2-methylaniline;dihydrochloride (CID 164607051) is 4-(2-aminoethoxy)-2-methylaniline;dihydrochloride.
What is the SMILES notation for 4-(2-aminoethoxy)-2-methylaniline;dihydrochloride?
The canonical SMILES for 4-(2-aminoethoxy)-2-methylaniline;dihydrochloride is Cc1cc(OCCN)ccc1N.Cl.Cl.
What is the InChIKey of 4-(2-aminoethoxy)-2-methylaniline;dihydrochloride?
The InChIKey is JRUFGFJEBJMVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.2ClH/c1-7-6-8(12-5-4-10)2-3-9(7)11;;/h2-3,6H,4-5,10-11H2,1H3;2*1H.
What are the key properties of 4-(2-aminoethoxy)-2-methylaniline;dihydrochloride?
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-2-methylaniline;dihydrochloride is sourced from PubChem (CID 164607051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).