2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol

C9H12ClNO2 — CID 82608027

IUPAC2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(O)c1cccc(Cl)c1O
InChIInChI=1S/C9H12ClNO2/c1-11-5-8(12)6-3-2-4-7(10)9(6)13/h2-4,8,11-13H,5H2,1H3
InChIKeyGZNLRFCZADJWKT-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.30
Rot. Bonds3

About 2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol

2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol (PubChem CID 82608027) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol
PubChem CID82608027
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(O)c1cccc(Cl)c1O
InChIInChI=1S/C9H12ClNO2/c1-11-5-8(12)6-3-2-4-7(10)9(6)13/h2-4,8,11-13H,5H2,1H3
InChIKeyGZNLRFCZADJWKT-UHFFFAOYSA-N
XLogP1.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 83700875
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117333177
3-chloro-1-(3-chloro-2-hydroxyphenyl)propane-1,2-diol
CID 171863335
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84707989
1-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanol
CID 117108221
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(3-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 83698787
5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84811957
2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol
CID 84793313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol?
The IUPAC name of 2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol (CID 82608027) is 2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol.
What is the SMILES notation for 2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol?
The canonical SMILES for 2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol is CNCC(O)c1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol?
The InChIKey is GZNLRFCZADJWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-11-5-8(12)6-3-2-4-7(10)9(6)13/h2-4,8,11-13H,5H2,1H3.
What are the key properties of 2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol?
2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol has a molecular weight of 201.65 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 82608027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).