2-amino-1-(3,4-diethoxyphenyl)ethanol

C12H19NO3 — CID 18627975

IUPAC2-amino-1-(3,4-diethoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)CN)cc1OCC
InChIInChI=1S/C12H19NO3/c1-3-15-11-6-5-9(10(14)8-13)7-12(11)16-4-2/h5-7,10,14H,3-4,8,13H2,1-2H3
InChIKeyMHZKJOSBJYJMHA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.48
Rot. Bonds6

About 2-amino-1-(3,4-diethoxyphenyl)ethanol

2-amino-1-(3,4-diethoxyphenyl)ethanol (PubChem CID 18627975) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-1-(3,4-diethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3,4-diethoxyphenyl)ethanol
PubChem CID18627975
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-amino-1-(3,4-diethoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)CN)cc1OCC
InChIInChI=1S/C12H19NO3/c1-3-15-11-6-5-9(10(14)8-13)7-12(11)16-4-2/h5-7,10,14H,3-4,8,13H2,1-2H3
InChIKeyMHZKJOSBJYJMHA-UHFFFAOYSA-N
XLogP1.48
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
CID 83923626
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83923547
2-amino-1-[3,4-bis(prop-2-ynoxy)phenyl]ethanol;hydrochloride
CID 153401304
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
CID 62790303
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
CID 54307372
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202
6-(3,4-diethoxyphenyl)-6-hydroxyhexanoic acid
CID 43447097

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-diethoxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(3,4-diethoxyphenyl)ethanol (CID 18627975) is 2-amino-1-(3,4-diethoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3,4-diethoxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3,4-diethoxyphenyl)ethanol is CCOc1ccc(C(O)CN)cc1OCC.
What is the InChIKey of 2-amino-1-(3,4-diethoxyphenyl)ethanol?
The InChIKey is MHZKJOSBJYJMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-15-11-6-5-9(10(14)8-13)7-12(11)16-4-2/h5-7,10,14H,3-4,8,13H2,1-2H3.
What are the key properties of 2-amino-1-(3,4-diethoxyphenyl)ethanol?
2-amino-1-(3,4-diethoxyphenyl)ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-diethoxyphenyl)ethanol is sourced from PubChem (CID 18627975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).