2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol

C12H19NO2 — CID 7446829

IUPAC2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
SMILESCCOc1ccc([C@H](C)NCCO)cc1
InChIInChI=1S/C12H19NO2/c1-3-15-12-6-4-11(5-7-12)10(2)13-8-9-14/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-/m0/s1
InChIKeyMYTZPNLNGSEWEG-JTQLQIEISA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds6

About 2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol

2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol (PubChem CID 7446829) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
PubChem CID7446829
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
SMILESCCOc1ccc([C@H](C)NCCO)cc1
InChIInChI=1S/C12H19NO2/c1-3-15-12-6-4-11(5-7-12)10(2)13-8-9-14/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-/m0/s1
InChIKeyMYTZPNLNGSEWEG-JTQLQIEISA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol
CID 82314059
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787824
2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide
CID 43215162
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
N-cyclopropyl-3-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 79394735

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol?
The IUPAC name of 2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol (CID 7446829) is 2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol?
The canonical SMILES for 2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol is CCOc1ccc([C@H](C)NCCO)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol?
The InChIKey is MYTZPNLNGSEWEG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-15-12-6-4-11(5-7-12)10(2)13-8-9-14/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol?
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol is sourced from PubChem (CID 7446829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).