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

C17H25NO — CID 65331743

IUPAC1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNC(CC1CCCc2ccccc21)C1CCCOC1
InChIInChI=1S/C17H25NO/c18-17(15-8-4-10-19-12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-2,5,9,14-15,17H,3-4,6-8,10-12,18H2
InChIKeyPRWUNZGRCBJVGD-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.25
Rot. Bonds3

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

1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 65331743) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID65331743
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNC(CC1CCCc2ccccc21)C1CCCOC1
InChIInChI=1S/C17H25NO/c18-17(15-8-4-10-19-12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-2,5,9,14-15,17H,3-4,6-8,10-12,18H2
InChIKeyPRWUNZGRCBJVGD-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 65331743) is 1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is NC(CC1CCCc2ccccc21)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is PRWUNZGRCBJVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-17(15-8-4-10-19-12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-2,5,9,14-15,17H,3-4,6-8,10-12,18H2.
What are the key properties of 1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 65331743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).