3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol

C15H23NO2S — CID 79375512

IUPAC3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol
SMILESCNC1c2cc(OC)ccc2CC1SCC(C)CO
InChIInChI=1S/C15H23NO2S/c1-10(8-17)9-19-14-6-11-4-5-12(18-3)7-13(11)15(14)16-2/h4-5,7,10,14-17H,6,8-9H2,1-3H3
InChIKeyURUYOVQJNAOLIV-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.24
Rot. Bonds6

About 3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol

3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol (PubChem CID 79375512) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol
PubChem CID79375512
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol
SMILESCNC1c2cc(OC)ccc2CC1SCC(C)CO
InChIInChI=1S/C15H23NO2S/c1-10(8-17)9-19-14-6-11-4-5-12(18-3)7-13(11)15(14)16-2/h4-5,7,10,14-17H,6,8-9H2,1-3H3
InChIKeyURUYOVQJNAOLIV-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-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

2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
CID 66102793
N-ethyl-6-methoxy-2-(2-methylbutylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 107763601
7-methoxy-N-methyl-2-(2-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763687
3-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79237319
6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79375427
N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368198
3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol
CID 107772532
6-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-yl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376099
6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 79370352
2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375426
7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248477
2-N-(cyclopropylmethyl)-6-methoxy-1-N,2-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376461

Frequently Asked Questions

What is the IUPAC name of 3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol (CID 79375512) is 3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol is CNC1c2cc(OC)ccc2CC1SCC(C)CO.
What is the InChIKey of 3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol?
The InChIKey is URUYOVQJNAOLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-10(8-17)9-19-14-6-11-4-5-12(18-3)7-13(11)15(14)16-2/h4-5,7,10,14-17H,6,8-9H2,1-3H3.
What are the key properties of 3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol?
3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol has a molecular weight of 281.42 g/mol, XLogP of 2.24, 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)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 79375512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).