2-(3-amino-4-methoxyanilino)ethanol

C9H14N2O2 — CID 3019283

IUPAC2-(3-amino-4-methoxyanilino)ethanol
SMILESCOc1ccc(NCCO)cc1N
InChIInChI=1S/C9H14N2O2/c1-13-9-3-2-7(6-8(9)10)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3
InChIKeySBUMIGFDXJIPLE-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.68
Rot. Bonds4

About 2-(3-amino-4-methoxyanilino)ethanol

2-(3-amino-4-methoxyanilino)ethanol (PubChem CID 3019283) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(3-amino-4-methoxyanilino)ethanol.

Molecular Properties

Compound Name2-(3-amino-4-methoxyanilino)ethanol
PubChem CID3019283
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(3-amino-4-methoxyanilino)ethanol
SMILESCOc1ccc(NCCO)cc1N
InChIInChI=1S/C9H14N2O2/c1-13-9-3-2-7(6-8(9)10)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3
InChIKeySBUMIGFDXJIPLE-UHFFFAOYSA-N
XLogP0.68
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxyanilino)ethanol?
The IUPAC name of 2-(3-amino-4-methoxyanilino)ethanol (CID 3019283) is 2-(3-amino-4-methoxyanilino)ethanol.
What is the SMILES notation for 2-(3-amino-4-methoxyanilino)ethanol?
The canonical SMILES for 2-(3-amino-4-methoxyanilino)ethanol is COc1ccc(NCCO)cc1N.
What is the InChIKey of 2-(3-amino-4-methoxyanilino)ethanol?
The InChIKey is SBUMIGFDXJIPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-13-9-3-2-7(6-8(9)10)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3.
What are the key properties of 2-(3-amino-4-methoxyanilino)ethanol?
2-(3-amino-4-methoxyanilino)ethanol has a molecular weight of 182.22 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methoxyanilino)ethanol is sourced from PubChem (CID 3019283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).