1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol

C17H21NO2 — CID 166301544

IUPAC1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol
SMILESOC(CNCc1ccc2c(c1)CCCC2)c1ccoc1
InChIInChI=1S/C17H21NO2/c19-17(16-7-8-20-12-16)11-18-10-13-5-6-14-3-1-2-4-15(14)9-13/h5-9,12,17-19H,1-4,10-11H2
InChIKeyCOPAINRTJSXJIC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.98
Rot. Bonds5

About 1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol

1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol (PubChem CID 166301544) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol
PubChem CID166301544
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol
SMILESOC(CNCc1ccc2c(c1)CCCC2)c1ccoc1
InChIInChI=1S/C17H21NO2/c19-17(16-7-8-20-12-16)11-18-10-13-5-6-14-3-1-2-4-15(14)9-13/h5-9,12,17-19H,1-4,10-11H2
InChIKeyCOPAINRTJSXJIC-UHFFFAOYSA-N
XLogP2.98
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol
CID 115250760
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol
CID 166350994
3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan
CID 63431176
N-(furan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 62999731
(2R)-1-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 155944929
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid
CID 115249897
[2,3-dihydro-1H-inden-5-yl(furan-3-yl)methyl]hydrazine
CID 105305866
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115618244
1,2-bis(furan-3-yl)ethanol
CID 83172033
1-[(4-chlorophenyl)methyl]-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798421
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
CID 95986798

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol?
The IUPAC name of 1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol (CID 166301544) is 1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol.
What is the SMILES notation for 1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol?
The canonical SMILES for 1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol is OC(CNCc1ccc2c(c1)CCCC2)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol?
The InChIKey is COPAINRTJSXJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(16-7-8-20-12-16)11-18-10-13-5-6-14-3-1-2-4-15(14)9-13/h5-9,12,17-19H,1-4,10-11H2.
What are the key properties of 1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol?
1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol is sourced from PubChem (CID 166301544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).