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

C17H25NOS — CID 79963939

IUPACN-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCNC(CC1CCCc2ccccc21)C1CSCCO1
InChIInChI=1S/C17H25NOS/c1-18-16(17-12-20-10-9-19-17)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,14,16-18H,4,6-7,9-12H2,1H3
InChIKeyBBGSNAYWHBGUOY-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.22
Rot. Bonds4

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

N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 79963939) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID79963939
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC NameN-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCNC(CC1CCCc2ccccc21)C1CSCCO1
InChIInChI=1S/C17H25NOS/c1-18-16(17-12-20-10-9-19-17)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,14,16-18H,4,6-7,9-12H2,1H3
InChIKeyBBGSNAYWHBGUOY-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65328404
1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79963410
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115812317
1-(3-ethylcyclopentyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65411989
2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963628
[1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105259545
N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine
CID 115812436
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 115812445
N-ethyl-1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65332252
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105003539

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 79963939) is N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is CNC(CC1CCCc2ccccc21)C1CSCCO1.
What is the InChIKey of N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is BBGSNAYWHBGUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-18-16(17-12-20-10-9-19-17)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,14,16-18H,4,6-7,9-12H2,1H3.
What are the key properties of N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 291.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 79963939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).