1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C16H23NOS — CID 79963410

IUPAC1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNC(CC1CCCc2ccccc21)C1CSCCO1
InChIInChI=1S/C16H23NOS/c17-15(16-11-19-9-8-18-16)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7,13,15-16H,3,5-6,8-11,17H2
InChIKeyYRPZXWUFGVQICK-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.96
Rot. Bonds3

About 1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 79963410) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID79963410
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNC(CC1CCCc2ccccc21)C1CSCCO1
InChIInChI=1S/C16H23NOS/c17-15(16-11-19-9-8-18-16)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7,13,15-16H,3,5-6,8-11,17H2
InChIKeyYRPZXWUFGVQICK-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79963939
1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65331743
1-(2-methylcyclopropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65420172
N-methyl-1-(oxolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65328404
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963416
1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79962484
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 63772832
1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105106968
(1S)-1-(1,4-oxathian-2-yl)propan-1-amine
CID 104932260

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 79963410) is 1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is NC(CC1CCCc2ccccc21)C1CSCCO1.
What is the InChIKey of 1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is YRPZXWUFGVQICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c17-15(16-11-19-9-8-18-16)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7,13,15-16H,3,5-6,8-11,17H2.
What are the key properties of 1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 277.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 79963410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).