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

C10H14ClNO2 — CID 83886888

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

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

6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol (PubChem CID 83886888) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol.

Molecular Properties

Compound Name6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol
PubChem CID83886888
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol
SMILESCc1c(Cl)cc(C(O)CN)c(O)c1C
InChIInChI=1S/C10H14ClNO2/c1-5-6(2)10(14)7(3-8(5)11)9(13)4-12/h3,9,13-14H,4,12H2,1-2H3
InChIKeyNIKBLOQUBUMNDA-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

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Related Compounds

6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 77129959
6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol
CID 83899131
2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol
CID 83876708
3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol
CID 84776533
2-(2-amino-1-hydroxyethyl)-4-ethyl-6-methylphenol
CID 83879423
3-chloro-6-[(1S)-1,2-diaminoethyl]-2-methylphenol
CID 66517046
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol
CID 83894968
6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84714365
2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol
CID 84708628
2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol
CID 117284183
1,5-dichloro-2,3,4-trimethylbenzene
CID 21488192

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol?
The IUPAC name of 6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol (CID 83886888) is 6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol.
What is the SMILES notation for 6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol?
The canonical SMILES for 6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol is Cc1c(Cl)cc(C(O)CN)c(O)c1C.
What is the InChIKey of 6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol?
The InChIKey is NIKBLOQUBUMNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-5-6(2)10(14)7(3-8(5)11)9(13)4-12/h3,9,13-14H,4,12H2,1-2H3.
What are the key properties of 6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol?
6-(2-amino-1-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-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol is sourced from PubChem (CID 83886888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).