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

C9H15ClN2O2 — CID 154637919

IUPAC2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
SMILESCOc1ccc(NCCO)cc1N.Cl
InChIInChI=1S/C9H14N2O2.ClH/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;/h2-3,6,11-12H,4-5,10H2,1H3;1H
InChIKeyUIIYONHHUNJXFP-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.10
Rot. Bonds4

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

2-(3-amino-4-methoxyanilino)ethanol;hydrochloride (PubChem CID 154637919) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 2-(3-amino-4-methoxyanilino)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
PubChem CID154637919
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
SMILESCOc1ccc(NCCO)cc1N.Cl
InChIInChI=1S/C9H14N2O2.ClH/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;/h2-3,6,11-12H,4-5,10H2,1H3;1H
InChIKeyUIIYONHHUNJXFP-UHFFFAOYSA-N
XLogP1.10
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.10
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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Related Compounds

2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine
CID 159575611
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
3-(3-amino-4-methoxyanilino)prop-1-en-1-ol
CID 68967625
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
CID 82257349
2-(3-amino-4-methoxy-5-methylanilino)ethanol
CID 143181854
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
2-[3-(4-amino-3-methoxyanilino)propoxy]ethanol
CID 106308975
2-[4-amino-3-(2-methoxyethyl)anilino]ethanol
CID 57193962
2-(3,4,5-trimethoxyanilino)ethanol
CID 28571961
4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine
CID 79678450
2-(4-amino-3-chloroanilino)ethanol
CID 54315994

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxyanilino)ethanol;hydrochloride?
The IUPAC name of 2-(3-amino-4-methoxyanilino)ethanol;hydrochloride (CID 154637919) is 2-(3-amino-4-methoxyanilino)ethanol;hydrochloride.
What is the SMILES notation for 2-(3-amino-4-methoxyanilino)ethanol;hydrochloride?
The canonical SMILES for 2-(3-amino-4-methoxyanilino)ethanol;hydrochloride is COc1ccc(NCCO)cc1N.Cl.
What is the InChIKey of 2-(3-amino-4-methoxyanilino)ethanol;hydrochloride?
The InChIKey is UIIYONHHUNJXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.ClH/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;/h2-3,6,11-12H,4-5,10H2,1H3;1H.
What are the key properties of 2-(3-amino-4-methoxyanilino)ethanol;hydrochloride?
2-(3-amino-4-methoxyanilino)ethanol;hydrochloride has a molecular weight of 218.68 g/mol, XLogP of 1.10, 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;hydrochloride is sourced from PubChem (CID 154637919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).