4-(2-aminoethoxy)-2-methylaniline

C9H14N2O — CID 15870804

IUPAC4-(2-aminoethoxy)-2-methylaniline
SMILESCc1cc(OCCN)ccc1N
InChIInChI=1S/C9H14N2O/c1-7-6-8(12-5-4-10)2-3-9(7)11/h2-3,6H,4-5,10-11H2,1H3
InChIKeyHGZGUWSQZDESIK-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.91
Rot. Bonds3

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

4-(2-aminoethoxy)-2-methylaniline (PubChem CID 15870804) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-2-methylaniline.

Molecular Properties

Compound Name4-(2-aminoethoxy)-2-methylaniline
PubChem CID15870804
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-(2-aminoethoxy)-2-methylaniline
SMILESCc1cc(OCCN)ccc1N
InChIInChI=1S/C9H14N2O/c1-7-6-8(12-5-4-10)2-3-9(7)11/h2-3,6H,4-5,10-11H2,1H3
InChIKeyHGZGUWSQZDESIK-UHFFFAOYSA-N
XLogP0.91
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
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-methyl-4-(2-phenylsulfanylethoxy)aniline
CID 79211754
3-(4-bromo-3-methylphenoxy)propan-1-amine
CID 83133338

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-2-methylaniline?
The IUPAC name of 4-(2-aminoethoxy)-2-methylaniline (CID 15870804) is 4-(2-aminoethoxy)-2-methylaniline.
What is the SMILES notation for 4-(2-aminoethoxy)-2-methylaniline?
The canonical SMILES for 4-(2-aminoethoxy)-2-methylaniline is Cc1cc(OCCN)ccc1N.
What is the InChIKey of 4-(2-aminoethoxy)-2-methylaniline?
The InChIKey is HGZGUWSQZDESIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-6-8(12-5-4-10)2-3-9(7)11/h2-3,6H,4-5,10-11H2,1H3.
What are the key properties of 4-(2-aminoethoxy)-2-methylaniline?
4-(2-aminoethoxy)-2-methylaniline has a molecular weight of 166.22 g/mol, XLogP of 0.91, 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 is sourced from PubChem (CID 15870804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).