2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol

C10H14ClNO3 — CID 83894968

IUPAC2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol
SMILESCOCc1cc(O)c(C(O)CN)cc1Cl
InChIInChI=1S/C10H14ClNO3/c1-15-5-6-2-9(13)7(3-8(6)11)10(14)4-12/h2-3,10,13-14H,4-5,12H2,1H3
InChIKeyUCCPMDSNQPUFQH-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.18
Rot. Bonds4

About 2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol

2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol (PubChem CID 83894968) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol
PubChem CID83894968
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol
SMILESCOCc1cc(O)c(C(O)CN)cc1Cl
InChIInChI=1S/C10H14ClNO3/c1-15-5-6-2-9(13)7(3-8(6)11)10(14)4-12/h2-3,10,13-14H,4-5,12H2,1H3
InChIKeyUCCPMDSNQPUFQH-UHFFFAOYSA-N
XLogP1.18
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol
CID 83894966
2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117355259
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355258
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 83886888
2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117468575
2-amino-1-[6-chloro-5-(methoxymethyl)-2-pyridinyl]ethanol
CID 90061969
2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol
CID 117339623
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
CID 54487924
4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol
CID 84785759
3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol
CID 84776533

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol (CID 83894968) is 2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol is COCc1cc(O)c(C(O)CN)cc1Cl.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol?
The InChIKey is UCCPMDSNQPUFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3/c1-15-5-6-2-9(13)7(3-8(6)11)10(14)4-12/h2-3,10,13-14H,4-5,12H2,1H3.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol?
2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol has a molecular weight of 231.68 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol is sourced from PubChem (CID 83894968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).