2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol

C15H23NO2 — CID 63771637

IUPAC2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
SMILESOCCN(CCO)CC1CCCc2ccccc21
InChIInChI=1S/C15H23NO2/c17-10-8-16(9-11-18)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-2,4,7,14,17-18H,3,5-6,8-12H2
InChIKeyWMGYUDDKHWJFAY-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.39
Rot. Bonds6

About 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol

2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol (PubChem CID 63771637) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
PubChem CID63771637
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
SMILESOCCN(CCO)CC1CCCc2ccccc21
InChIInChI=1S/C15H23NO2/c17-10-8-16(9-11-18)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-2,4,7,14,17-18H,3,5-6,8-12H2
InChIKeyWMGYUDDKHWJFAY-UHFFFAOYSA-N
XLogP1.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-aminoethyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55242274
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol
CID 129363150
N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine
CID 80668709
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol
CID 104770923
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide
CID 63771080
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate
CID 63770956
2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637491

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol (CID 63771637) is 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol is OCCN(CCO)CC1CCCc2ccccc21.
What is the InChIKey of 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol?
The InChIKey is WMGYUDDKHWJFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-10-8-16(9-11-18)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-2,4,7,14,17-18H,3,5-6,8-12H2.
What are the key properties of 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol?
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol has a molecular weight of 249.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol is sourced from PubChem (CID 63771637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).