2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol

C11H17NO3 — CID 77128086

IUPAC2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
SMILESCCOc1ccc(C(N)CO)cc1OC
InChIInChI=1S/C11H17NO3/c1-3-15-10-5-4-8(9(12)7-13)6-11(10)14-2/h4-6,9,13H,3,7,12H2,1-2H3
InChIKeyYVWGJVRRSJCJRJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.09
Rot. Bonds5

About 2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol

2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol (PubChem CID 77128086) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
PubChem CID77128086
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
SMILESCCOc1ccc(C(N)CO)cc1OC
InChIInChI=1S/C11H17NO3/c1-3-15-10-5-4-8(9(12)7-13)6-11(10)14-2/h4-6,9,13H,3,7,12H2,1-2H3
InChIKeyYVWGJVRRSJCJRJ-UHFFFAOYSA-N
XLogP1.09
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
CID 66515047
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
(2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol
CID 66514904
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
(1S)-1-(4-ethoxy-3-methoxyphenyl)pentane-1,5-diamine
CID 171231818

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol (CID 77128086) is 2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol is CCOc1ccc(C(N)CO)cc1OC.
What is the InChIKey of 2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol?
The InChIKey is YVWGJVRRSJCJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-15-10-5-4-8(9(12)7-13)6-11(10)14-2/h4-6,9,13H,3,7,12H2,1-2H3.
What are the key properties of 2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol?
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol has a molecular weight of 211.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol is sourced from PubChem (CID 77128086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).