3-(2-aminophenyl)-N-ethyloxiran-2-amine

C10H14N2O — CID 123178084

IUPAC3-(2-aminophenyl)-N-ethyloxiran-2-amine
SMILESCCNC1OC1c1ccccc1N
InChIInChI=1S/C10H14N2O/c1-2-12-10-9(13-10)7-5-3-4-6-8(7)11/h3-6,9-10,12H,2,11H2,1H3
InChIKeyZMOASMAGFJGDAK-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.28
Rot. Bonds3

About 3-(2-aminophenyl)-N-ethyloxiran-2-amine

3-(2-aminophenyl)-N-ethyloxiran-2-amine (PubChem CID 123178084) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-ethyloxiran-2-amine.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-ethyloxiran-2-amine
PubChem CID123178084
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-(2-aminophenyl)-N-ethyloxiran-2-amine
SMILESCCNC1OC1c1ccccc1N
InChIInChI=1S/C10H14N2O/c1-2-12-10-9(13-10)7-5-3-4-6-8(7)11/h3-6,9-10,12H,2,11H2,1H3
InChIKeyZMOASMAGFJGDAK-UHFFFAOYSA-N
XLogP1.28
TPSA50.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-ethyloxiran-2-amine?
The IUPAC name of 3-(2-aminophenyl)-N-ethyloxiran-2-amine (CID 123178084) is 3-(2-aminophenyl)-N-ethyloxiran-2-amine.
What is the SMILES notation for 3-(2-aminophenyl)-N-ethyloxiran-2-amine?
The canonical SMILES for 3-(2-aminophenyl)-N-ethyloxiran-2-amine is CCNC1OC1c1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-ethyloxiran-2-amine?
The InChIKey is ZMOASMAGFJGDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-12-10-9(13-10)7-5-3-4-6-8(7)11/h3-6,9-10,12H,2,11H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-ethyloxiran-2-amine?
3-(2-aminophenyl)-N-ethyloxiran-2-amine has a molecular weight of 178.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-ethyloxiran-2-amine is sourced from PubChem (CID 123178084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).