2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol

C11H16ClNO2 — CID 83893998

IUPAC2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
SMILESCCOc1c(Cl)cc(C)cc1C(O)CN
InChIInChI=1S/C11H16ClNO2/c1-3-15-11-8(10(14)6-13)4-7(2)5-9(11)12/h4-5,10,14H,3,6,13H2,1-2H3
InChIKeySOVWHTKHFHPWBM-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.04
Rot. Bonds4

About 2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol

2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol (PubChem CID 83893998) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
PubChem CID83893998
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
SMILESCCOc1c(Cl)cc(C)cc1C(O)CN
InChIInChI=1S/C11H16ClNO2/c1-3-15-11-8(10(14)6-13)4-7(2)5-9(11)12/h4-5,10,14H,3,6,13H2,1-2H3
InChIKeySOVWHTKHFHPWBM-UHFFFAOYSA-N
XLogP2.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-chloro-6-methoxy-4-methylphenyl)ethanol
CID 84784457
ethyl 2-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetate
CID 117497861
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol
CID 83940650
1-(2,6-dichloro-4-methylphenoxy)propan-2-ol
CID 90679727
1-(3-chloro-4-ethoxy-5-methylphenyl)ethane-1,2-diamine
CID 66517966
1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine
CID 170894996
2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine
CID 83895005
3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol
CID 22872523
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 82265954
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol
CID 83940579

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol (CID 83893998) is 2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol is CCOc1c(Cl)cc(C)cc1C(O)CN.
What is the InChIKey of 2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol?
The InChIKey is SOVWHTKHFHPWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-3-15-11-8(10(14)6-13)4-7(2)5-9(11)12/h4-5,10,14H,3,6,13H2,1-2H3.
What are the key properties of 2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol?
2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol has a molecular weight of 229.71 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 83893998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).