3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol

C15H23NO2S — CID 66127727

IUPAC3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
SMILESCNC1c2ccc(OC)cc2CCC1SCCCO
InChIInChI=1S/C15H23NO2S/c1-16-15-13-6-5-12(18-2)10-11(13)4-7-14(15)19-9-3-8-17/h5-6,10,14-17H,3-4,7-9H2,1-2H3
InChIKeyQKUUKYCLKHPUNE-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.39
Rot. Bonds6

About 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol

3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol (PubChem CID 66127727) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
PubChem CID66127727
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
SMILESCNC1c2ccc(OC)cc2CCC1SCCCO
InChIInChI=1S/C15H23NO2S/c1-16-15-13-6-5-12(18-2)10-11(13)4-7-14(15)19-9-3-8-17/h5-6,10,14-17H,3-4,7-9H2,1-2H3
InChIKeyQKUUKYCLKHPUNE-UHFFFAOYSA-N
XLogP2.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propanoate
CID 64615409
7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248477
N-ethyl-6-methoxy-2-propylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64614896
6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107762876
3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol
CID 79670718
7-methoxy-N-methyl-2-(2-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763687
6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64621382
6-methoxy-2-(3-methoxypropylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658416
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 64812391
3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol
CID 107772532
[6-methoxy-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 64814688

Frequently Asked Questions

What is the IUPAC name of 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol?
The IUPAC name of 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol (CID 66127727) is 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol is CNC1c2ccc(OC)cc2CCC1SCCCO.
What is the InChIKey of 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol?
The InChIKey is QKUUKYCLKHPUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-16-15-13-6-5-12(18-2)10-11(13)4-7-14(15)19-9-3-8-17/h5-6,10,14-17H,3-4,7-9H2,1-2H3.
What are the key properties of 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol?
3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol has a molecular weight of 281.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 66127727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).