2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol

C13H21NO3 — CID 10263644

IUPAC2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COCCN(C)C)c1
InChIInChI=1S/C13H21NO3/c1-14(2)7-8-17-10-13(15)11-5-4-6-12(9-11)16-3/h4-6,9,13,15H,7-8,10H2,1-3H3
InChIKeyCOZJCOCWDHUBEL-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.31
Rot. Bonds7

About 2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol

2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol (PubChem CID 10263644) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol
PubChem CID10263644
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COCCN(C)C)c1
InChIInChI=1S/C13H21NO3/c1-14(2)7-8-17-10-13(15)11-5-4-6-12(9-11)16-3/h4-6,9,13,15H,7-8,10H2,1-3H3
InChIKeyCOZJCOCWDHUBEL-UHFFFAOYSA-N
XLogP1.31
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride
CID 3076591
1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 112588838
2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol
CID 3076594
2-[2-(dimethylamino)ethoxy]-1-(3-nitrophenyl)ethanol;hydrochloride
CID 3076581
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol
CID 81134021
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759
3-hydrazinyl-3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 105259246
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(dimethylamino)ethoxy]ethanol
CID 3076624
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol (CID 10263644) is 2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)COCCN(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol?
The InChIKey is COZJCOCWDHUBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-14(2)7-8-17-10-13(15)11-5-4-6-12(9-11)16-3/h4-6,9,13,15H,7-8,10H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol?
2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol has a molecular weight of 239.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 10263644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).