5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

C16H23NO2 — CID 82983860

IUPAC5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC1OCCC1N(C)C1CCCc2c(O)cccc21
InChIInChI=1S/C16H23NO2/c1-11-14(9-10-19-11)17(2)15-7-3-6-13-12(15)5-4-8-16(13)18/h4-5,8,11,14-15,18H,3,6-7,9-10H2,1-2H3
InChIKeyAJUCNCSNNHTSAY-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.88
Rot. Bonds2

About 5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 82983860) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID82983860
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC1OCCC1N(C)C1CCCc2c(O)cccc21
InChIInChI=1S/C16H23NO2/c1-11-14(9-10-19-11)17(2)15-7-3-6-13-12(15)5-4-8-16(13)18/h4-5,8,11,14-15,18H,3,6-7,9-10H2,1-2H3
InChIKeyAJUCNCSNNHTSAY-UHFFFAOYSA-N
XLogP2.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82977970
5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82982360
2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexan-1-one
CID 82741982
1-(dimethylamino)-2,3-dihydro-1H-inden-4-ol
CID 11789767
5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82961944
5-[1-(dimethylamino)propan-2-yl-ethylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 103192654
5-[methyl(2-propan-2-yloxyethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82982832
2-[ethyl-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N,N-dimethylacetamide
CID 82978326
2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
CID 82982688
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82958474
1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol
CID 82982631
carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 20637491

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 82983860) is 5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is CC1OCCC1N(C)C1CCCc2c(O)cccc21.
What is the InChIKey of 5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is AJUCNCSNNHTSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-14(9-10-19-11)17(2)15-7-3-6-13-12(15)5-4-8-16(13)18/h4-5,8,11,14-15,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 261.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 82983860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).