5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C17H27NO2 — CID 82985858

IUPAC5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC(C)N(CCOC)C1CCCc2cc(O)ccc21
InChIInChI=1S/C17H27NO2/c1-4-13(2)18(10-11-20-3)17-7-5-6-14-12-15(19)8-9-16(14)17/h8-9,12-13,17,19H,4-7,10-11H2,1-3H3
InChIKeyZCLQZSPVIBUCGJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.52
Rot. Bonds6

About 5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 82985858) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID82985858
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC(C)N(CCOC)C1CCCc2cc(O)ccc21
InChIInChI=1S/C17H27NO2/c1-4-13(2)18(10-11-20-3)17-7-5-6-14-12-15(19)8-9-16(14)17/h8-9,12-13,17,19H,4-7,10-11H2,1-3H3
InChIKeyZCLQZSPVIBUCGJ-UHFFFAOYSA-N
XLogP3.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

5-[2-methylpropyl(pentan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82965932
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82958474
8-[2-methoxyethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114091449
1-N-(2-methoxyethyl)-1-N-propan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 82965925
5-(methoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105446165
1-[ethyl(2-methylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685117
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
5-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105437541
1-[2-methoxyethyl(pentan-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82986564
5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82980837
5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82978550
1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107684994

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 82985858) is 5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCC(C)N(CCOC)C1CCCc2cc(O)ccc21.
What is the InChIKey of 5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is ZCLQZSPVIBUCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-13(2)18(10-11-20-3)17-7-5-6-14-12-15(19)8-9-16(14)17/h8-9,12-13,17,19H,4-7,10-11H2,1-3H3.
What are the key properties of 5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 277.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(2-methoxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 82985858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).