2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol

C11H16ClNO2 — CID 117331573

IUPAC2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol
SMILESCCc1cc(C(N)CO)cc(Cl)c1OC
InChIInChI=1S/C11H16ClNO2/c1-3-7-4-8(10(13)6-14)5-9(12)11(7)15-2/h4-5,10,14H,3,6,13H2,1-2H3
InChIKeyXRVBMANVEGEIHT-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.90
Rot. Bonds4

About 2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol

2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol (PubChem CID 117331573) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol
PubChem CID117331573
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol
SMILESCCc1cc(C(N)CO)cc(Cl)c1OC
InChIInChI=1S/C11H16ClNO2/c1-3-7-4-8(10(13)6-14)5-9(12)11(7)15-2/h4-5,10,14H,3,6,13H2,1-2H3
InChIKeyXRVBMANVEGEIHT-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-amino-2-(5-chloro-6-methoxy-3-pyridinyl)ethanol
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(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
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CID 83881341
1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol (CID 117331573) is 2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol is CCc1cc(C(N)CO)cc(Cl)c1OC.
What is the InChIKey of 2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol?
The InChIKey is XRVBMANVEGEIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-3-7-4-8(10(13)6-14)5-9(12)11(7)15-2/h4-5,10,14H,3,6,13H2,1-2H3.
What are the key properties of 2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol?
2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol has a molecular weight of 229.71 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol is sourced from PubChem (CID 117331573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).