2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol

C9H12ClNO3 — CID 83887856

IUPAC2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol
SMILESCOc1cc(Cl)c(O)c(C(N)CO)c1
InChIInChI=1S/C9H12ClNO3/c1-14-5-2-6(8(11)4-12)9(13)7(10)3-5/h2-3,8,12-13H,4,11H2,1H3
InChIKeyPHJQQQXRQABPNN-UHFFFAOYSA-N
MW217.65 g/mol
LogP1.05
Rot. Bonds3

About 2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol

2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol (PubChem CID 83887856) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol
PubChem CID83887856
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol
SMILESCOc1cc(Cl)c(O)c(C(N)CO)c1
InChIInChI=1S/C9H12ClNO3/c1-14-5-2-6(8(11)4-12)9(13)7(10)3-5/h2-3,8,12-13H,4,11H2,1H3
InChIKeyPHJQQQXRQABPNN-UHFFFAOYSA-N
XLogP1.05
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
(1S,3S)-1,3-bis(2,6-dichloro-4-methoxyphenyl)propane-1,3-diamine
CID 131850438
6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 77129959
2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol
CID 131167038
2-[(1S)-1-aminopropyl]-6-bromo-4-methoxyphenol
CID 130699655
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol
CID 55277238
2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride
CID 171257647
2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386585
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
CID 66514040
2-chloro-4-methoxy-6-methylphenol
CID 122163446

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol (CID 83887856) is 2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol is COc1cc(Cl)c(O)c(C(N)CO)c1.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol?
The InChIKey is PHJQQQXRQABPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3/c1-14-5-2-6(8(11)4-12)9(13)7(10)3-5/h2-3,8,12-13H,4,11H2,1H3.
What are the key properties of 2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol?
2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol has a molecular weight of 217.65 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol is sourced from PubChem (CID 83887856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).