1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol

C17H22N2OS — CID 43637090

IUPAC1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESCN(C)C(CNC1CCc2c(O)cccc21)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-19(2)15(17-7-4-10-21-17)11-18-14-9-8-13-12(14)5-3-6-16(13)20/h3-7,10,14-15,18,20H,8-9,11H2,1-2H3
InChIKeyUFNSYLXELMGVAN-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.33
Rot. Bonds5

About 1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol

1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 43637090) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID43637090
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESCN(C)C(CNC1CCc2c(O)cccc21)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-19(2)15(17-7-4-10-21-17)11-18-14-9-8-13-12(14)5-3-6-16(13)20/h3-7,10,14-15,18,20H,8-9,11H2,1-2H3
InChIKeyUFNSYLXELMGVAN-UHFFFAOYSA-N
XLogP3.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol with MolForge

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Related Compounds

1-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 43637052
N'-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 82686861
N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine
CID 54902452
1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 106145144
3-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 95139013
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 54913172
N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43079511
1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol
CID 113343184
N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 54981658
1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 43223422
1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43636908
1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115869693

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol (CID 43637090) is 1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol is CN(C)C(CNC1CCc2c(O)cccc21)c1cccs1.
What is the InChIKey of 1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is UFNSYLXELMGVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-19(2)15(17-7-4-10-21-17)11-18-14-9-8-13-12(14)5-3-6-16(13)20/h3-7,10,14-15,18,20H,8-9,11H2,1-2H3.
What are the key properties of 1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol?
1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 302.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43637090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).