3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol

C10H14ClNO4 — CID 117372422

IUPAC3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(Cl)c(C(O)CN)c1OC
InChIInChI=1S/C10H14ClNO4/c1-15-7-3-5(13)9(11)8(6(14)4-12)10(7)16-2/h3,6,13-14H,4,12H2,1-2H3
InChIKeyICICVULIZCTSLX-UHFFFAOYSA-N
MW247.68 g/mol
LogP1.05
Rot. Bonds4

About 3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol

3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol (PubChem CID 117372422) has the molecular formula C10H14ClNO4 and a molecular weight of 247.68 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol.

Molecular Properties

Compound Name3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
PubChem CID117372422
Molecular FormulaC10H14ClNO4
Molecular Weight247.68 g/mol
Exact Mass247.06
IUPAC Name3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(Cl)c(C(O)CN)c1OC
InChIInChI=1S/C10H14ClNO4/c1-15-7-3-5(13)9(11)8(6(14)4-12)10(7)16-2/h3,6,13-14H,4,12H2,1-2H3
InChIKeyICICVULIZCTSLX-UHFFFAOYSA-N
XLogP1.05
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843
2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol
CID 117366706
2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol
CID 84679635
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117343844
2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
CID 84693134
2-amino-1-(2-chloro-6-methoxy-4-methylphenyl)ethanol
CID 84784457
4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol
CID 84785759
2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474365
2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117343845

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol?
The IUPAC name of 3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol (CID 117372422) is 3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol.
What is the SMILES notation for 3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol?
The canonical SMILES for 3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol is COc1cc(O)c(Cl)c(C(O)CN)c1OC.
What is the InChIKey of 3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol?
The InChIKey is ICICVULIZCTSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4/c1-15-7-3-5(13)9(11)8(6(14)4-12)10(7)16-2/h3,6,13-14H,4,12H2,1-2H3.
What are the key properties of 3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol?
3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol has a molecular weight of 247.68 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol is sourced from PubChem (CID 117372422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).