2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol

C11H16ClNO4 — CID 117409035

IUPAC2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol
SMILESCOc1cc(Cl)c(C(N)CO)c(OC)c1OC
InChIInChI=1S/C11H16ClNO4/c1-15-8-4-6(12)9(7(13)5-14)11(17-3)10(8)16-2/h4,7,14H,5,13H2,1-3H3
InChIKeyARGYMTYDXDSBBQ-UHFFFAOYSA-N
MW261.70 g/mol
LogP1.36
Rot. Bonds5

About 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol

2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol (PubChem CID 117409035) has the molecular formula C11H16ClNO4 and a molecular weight of 261.70 g/mol. Its IUPAC name is 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol
PubChem CID117409035
Molecular FormulaC11H16ClNO4
Molecular Weight261.70 g/mol
Exact Mass261.08
IUPAC Name2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol
SMILESCOc1cc(Cl)c(C(N)CO)c(OC)c1OC
InChIInChI=1S/C11H16ClNO4/c1-15-8-4-6(12)9(7(13)5-14)11(17-3)10(8)16-2/h4,7,14H,5,13H2,1-3H3
InChIKeyARGYMTYDXDSBBQ-UHFFFAOYSA-N
XLogP1.36
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol
CID 139983141
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
CID 84700339
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 117460411
2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
CID 117392843
3-amino-3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propanoic acid
CID 117437001
(2R)-2-amino-2-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)ethanol
CID 66515838
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol
CID 117311713
6-chloro-2,3,4-trimethoxyphenol
CID 13442752

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol (CID 117409035) is 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol is COc1cc(Cl)c(C(N)CO)c(OC)c1OC.
What is the InChIKey of 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol?
The InChIKey is ARGYMTYDXDSBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4/c1-15-8-4-6(12)9(7(13)5-14)11(17-3)10(8)16-2/h4,7,14H,5,13H2,1-3H3.
What are the key properties of 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol?
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol has a molecular weight of 261.70 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol is sourced from PubChem (CID 117409035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).