2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol

C12H19NO3 — CID 7242151

IUPAC2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
SMILESCOc1ccc([C@H](C)NCCO)cc1OC
InChIInChI=1S/C12H19NO3/c1-9(13-6-7-14)10-4-5-11(15-2)12(8-10)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3/t9-/m0/s1
InChIKeyUQCQYMRNXYGRGR-VIFPVBQESA-N
MW225.29 g/mol
LogP1.35
Rot. Bonds6

About 2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol

2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol (PubChem CID 7242151) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
PubChem CID7242151
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
SMILESCOc1ccc([C@H](C)NCCO)cc1OC
InChIInChI=1S/C12H19NO3/c1-9(13-6-7-14)10-4-5-11(15-2)12(8-10)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3/t9-/m0/s1
InChIKeyUQCQYMRNXYGRGR-VIFPVBQESA-N
XLogP1.35
TPSA50.72 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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N'-[1-(3,4-dimethoxyphenyl)ethyl]propane-1,3-diamine
CID 60890070
(2S)-3-[1-(3,4-dimethoxyphenyl)ethylamino]propane-1,2-diol
CID 61172770
N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634707
5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide
CID 103529821
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 62331698
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 15808336
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 102977990
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
CID 43205840
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methylsulfanylpentan-1-amine
CID 104926310
1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol
CID 63928817

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol?
The IUPAC name of 2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol (CID 7242151) is 2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol?
The canonical SMILES for 2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol is COc1ccc([C@H](C)NCCO)cc1OC.
What is the InChIKey of 2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol?
The InChIKey is UQCQYMRNXYGRGR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(13-6-7-14)10-4-5-11(15-2)12(8-10)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3/t9-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol?
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol is sourced from PubChem (CID 7242151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).