6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol

C10H14ClNO2 — CID 77129959

IUPAC6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
SMILESCc1c(Cl)cc(C(N)CO)c(O)c1C
InChIInChI=1S/C10H14ClNO2/c1-5-6(2)10(14)7(3-8(5)11)9(12)4-13/h3,9,13-14H,4,12H2,1-2H3
InChIKeyXVRROTMTXHYLSS-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.65
Rot. Bonds2

About 6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol

6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol (PubChem CID 77129959) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol.

Molecular Properties

Compound Name6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
PubChem CID77129959
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
SMILESCc1c(Cl)cc(C(N)CO)c(O)c1C
InChIInChI=1S/C10H14ClNO2/c1-5-6(2)10(14)7(3-8(5)11)9(12)4-13/h3,9,13-14H,4,12H2,1-2H3
InChIKeyXVRROTMTXHYLSS-UHFFFAOYSA-N
XLogP1.65
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 83886888
6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dimethyl-4-nitrophenol
CID 66515001
2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol
CID 66515433
2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol
CID 83887856
2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 84704105
2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84693061
6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol
CID 66515856
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
CID 77129858
4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84788284
2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol
CID 84785836
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205435

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol?
The IUPAC name of 6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol (CID 77129959) is 6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol.
What is the SMILES notation for 6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol?
The canonical SMILES for 6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol is Cc1c(Cl)cc(C(N)CO)c(O)c1C.
What is the InChIKey of 6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol?
The InChIKey is XVRROTMTXHYLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-5-6(2)10(14)7(3-8(5)11)9(12)4-13/h3,9,13-14H,4,12H2,1-2H3.
What are the key properties of 6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol?
6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol has a molecular weight of 215.68 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol is sourced from PubChem (CID 77129959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).