4-(2-aminoethyl)-2-ethoxyaniline

C10H16N2O — CID 91191224

IUPAC4-(2-aminoethyl)-2-ethoxyaniline
SMILESCCOc1cc(CCN)ccc1N
InChIInChI=1S/C10H16N2O/c1-2-13-10-7-8(5-6-11)3-4-9(10)12/h3-4,7H,2,5-6,11-12H2,1H3
InChIKeyPAKUAVYZJYSJEQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.17
Rot. Bonds4

About 4-(2-aminoethyl)-2-ethoxyaniline

4-(2-aminoethyl)-2-ethoxyaniline (PubChem CID 91191224) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-ethoxyaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-ethoxyaniline
PubChem CID91191224
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(2-aminoethyl)-2-ethoxyaniline
SMILESCCOc1cc(CCN)ccc1N
InChIInChI=1S/C10H16N2O/c1-2-13-10-7-8(5-6-11)3-4-9(10)12/h3-4,7H,2,5-6,11-12H2,1H3
InChIKeyPAKUAVYZJYSJEQ-UHFFFAOYSA-N
XLogP1.17
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.17
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-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
CID 70594097
CID 70594097
2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
CID 61481236
2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine
CID 62311006
2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine
CID 22680716
2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine
CID 170888196
2-ethoxy-4-(4-propylphenoxy)aniline
CID 63675228
methyl 2-(4-amino-3-ethoxyphenyl)acetate
CID 146285643
2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64773825
2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 20993016
2-(6-ethoxynaphthalen-2-yl)ethanamine
CID 170888283

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-ethoxyaniline?
The IUPAC name of 4-(2-aminoethyl)-2-ethoxyaniline (CID 91191224) is 4-(2-aminoethyl)-2-ethoxyaniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-ethoxyaniline?
The canonical SMILES for 4-(2-aminoethyl)-2-ethoxyaniline is CCOc1cc(CCN)ccc1N.
What is the InChIKey of 4-(2-aminoethyl)-2-ethoxyaniline?
The InChIKey is PAKUAVYZJYSJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-13-10-7-8(5-6-11)3-4-9(10)12/h3-4,7H,2,5-6,11-12H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2-ethoxyaniline?
4-(2-aminoethyl)-2-ethoxyaniline has a molecular weight of 180.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-ethoxyaniline is sourced from PubChem (CID 91191224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).