3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol

C16H25NO2S — CID 107772532

IUPAC3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol
SMILESCNC1c2cc(OC)ccc2CCC1SC(C)C(C)O
InChIInChI=1S/C16H25NO2S/c1-10(18)11(2)20-15-8-6-12-5-7-13(19-4)9-14(12)16(15)17-3/h5,7,9-11,15-18H,6,8H2,1-4H3
InChIKeyVUOQFZZUYYIPCG-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.77
Rot. Bonds5

About 3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol

3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol (PubChem CID 107772532) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol
PubChem CID107772532
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol
SMILESCNC1c2cc(OC)ccc2CCC1SC(C)C(C)O
InChIInChI=1S/C16H25NO2S/c1-10(18)11(2)20-15-8-6-12-5-7-13(19-4)9-14(12)16(15)17-3/h5,7,9-11,15-18H,6,8H2,1-4H3
InChIKeyVUOQFZZUYYIPCG-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol with MolForge

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Related Compounds

7-methoxy-N-methyl-2-(2-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763687
7-methoxy-N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236733
7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248477
7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763288
7-methoxy-N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236526
2-butan-2-ylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248549
7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237018
2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247695
(2R,3S)-3-hydroxy-1-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-2-methylbutan-1-one
CID 102574394
N-ethyl-6-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763324
3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79375512
3-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79237319

Frequently Asked Questions

What is the IUPAC name of 3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol?
The IUPAC name of 3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol (CID 107772532) is 3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol.
What is the SMILES notation for 3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol?
The canonical SMILES for 3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol is CNC1c2cc(OC)ccc2CCC1SC(C)C(C)O.
What is the InChIKey of 3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol?
The InChIKey is VUOQFZZUYYIPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-10(18)11(2)20-15-8-6-12-5-7-13(19-4)9-14(12)16(15)17-3/h5,7,9-11,15-18H,6,8H2,1-4H3.
What are the key properties of 3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol?
3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol has a molecular weight of 295.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol is sourced from PubChem (CID 107772532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).