2-(2-aminoethoxy)-6-methylaniline

C9H14N2O — CID 82502971

IUPAC2-(2-aminoethoxy)-6-methylaniline
SMILESCc1cccc(OCCN)c1N
InChIInChI=1S/C9H14N2O/c1-7-3-2-4-8(9(7)11)12-6-5-10/h2-4H,5-6,10-11H2,1H3
InChIKeyOKXVWPVKLQATKS-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.91
Rot. Bonds3

About 2-(2-aminoethoxy)-6-methylaniline

2-(2-aminoethoxy)-6-methylaniline (PubChem CID 82502971) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-6-methylaniline.

Molecular Properties

Compound Name2-(2-aminoethoxy)-6-methylaniline
PubChem CID82502971
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(2-aminoethoxy)-6-methylaniline
SMILESCc1cccc(OCCN)c1N
InChIInChI=1S/C9H14N2O/c1-7-3-2-4-8(9(7)11)12-6-5-10/h2-4H,5-6,10-11H2,1H3
InChIKeyOKXVWPVKLQATKS-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

2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline
CID 146356235
methyl 4-(2-amino-3-methylphenoxy)butanoate
CID 43437986
2-[8-(3-aminophenoxy)octoxy]-6-methylaniline
CID 153401305
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
3-(2-aminoethoxy)-2-methylphenol
CID 83620006
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601
2-[2-(2-fluoro-3-methylphenoxy)ethoxy]ethanamine
CID 107658319
2-methyl-6-(3-methylbut-2-enoxy)aniline
CID 107899463
tert-butyl N-[5-(2-amino-3-methylphenoxy)pentyl]carbamate
CID 164512412
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-6-methylaniline?
The IUPAC name of 2-(2-aminoethoxy)-6-methylaniline (CID 82502971) is 2-(2-aminoethoxy)-6-methylaniline.
What is the SMILES notation for 2-(2-aminoethoxy)-6-methylaniline?
The canonical SMILES for 2-(2-aminoethoxy)-6-methylaniline is Cc1cccc(OCCN)c1N.
What is the InChIKey of 2-(2-aminoethoxy)-6-methylaniline?
The InChIKey is OKXVWPVKLQATKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-3-2-4-8(9(7)11)12-6-5-10/h2-4H,5-6,10-11H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-6-methylaniline?
2-(2-aminoethoxy)-6-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 2-(2-aminoethoxy)-6-methylaniline is sourced from PubChem (CID 82502971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).