3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol

C9H12ClNO2 — CID 84776533

IUPAC3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol
SMILESCc1cc(O)cc(C(O)CN)c1Cl
InChIInChI=1S/C9H12ClNO2/c1-5-2-6(12)3-7(9(5)10)8(13)4-11/h2-3,8,12-13H,4,11H2,1H3
InChIKeyDSSFCSGUYAMGIU-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.35
Rot. Bonds2

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

3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol (PubChem CID 84776533) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol.

Molecular Properties

Compound Name3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol
PubChem CID84776533
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol
SMILESCc1cc(O)cc(C(O)CN)c1Cl
InChIInChI=1S/C9H12ClNO2/c1-5-2-6(12)3-7(9(5)10)8(13)4-11/h2-3,8,12-13H,4,11H2,1H3
InChIKeyDSSFCSGUYAMGIU-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol
CID 84775613
2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
CID 54487924
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 83886888
5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
CID 84793357
3-amino-1-(4-hydroxy-2,6-dimethylphenyl)propane-1,2-diol
CID 170827987
5-(2-amino-1-hydroxyethyl)benzene-1,3-diol
CID 12534519
2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol
CID 117284183
2-(2-chloro-3,5-dimethylphenyl)propan-1-amine
CID 84774730
2-(difluoromethyl)-6-methylbenzene-1,4-diol
CID 84654821
4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769635
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol?
The IUPAC name of 3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol (CID 84776533) is 3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol.
What is the SMILES notation for 3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol?
The canonical SMILES for 3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol is Cc1cc(O)cc(C(O)CN)c1Cl.
What is the InChIKey of 3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol?
The InChIKey is DSSFCSGUYAMGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-5-2-6(12)3-7(9(5)10)8(13)4-11/h2-3,8,12-13H,4,11H2,1H3.
What are the key properties of 3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol?
3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol has a molecular weight of 201.65 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol is sourced from PubChem (CID 84776533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).