5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C17H25NO2 — CID 82980837

IUPAC5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCN(CC1CCOCC1)C1CCCc2cc(O)ccc21
InChIInChI=1S/C17H25NO2/c1-18(12-13-7-9-20-10-8-13)17-4-2-3-14-11-15(19)5-6-16(14)17/h5-6,11,13,17,19H,2-4,7-10,12H2,1H3
InChIKeyGZPYWQCGQUFSGA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.13
Rot. Bonds3

About 5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 82980837) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID82980837
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCN(CC1CCOCC1)C1CCCc2cc(O)ccc21
InChIInChI=1S/C17H25NO2/c1-18(12-13-7-9-20-10-8-13)17-4-2-3-14-11-15(19)5-6-16(14)17/h5-6,11,13,17,19H,2-4,7-10,12H2,1H3
InChIKeyGZPYWQCGQUFSGA-UHFFFAOYSA-N
XLogP3.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 82980837) is 5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CN(CC1CCOCC1)C1CCCc2cc(O)ccc21.
What is the InChIKey of 5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is GZPYWQCGQUFSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18(12-13-7-9-20-10-8-13)17-4-2-3-14-11-15(19)5-6-16(14)17/h5-6,11,13,17,19H,2-4,7-10,12H2,1H3.
What are the key properties of 5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 275.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 82980837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).