2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine

C16H24N2S — CID 106444601

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCN1CCSCC1C(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2S/c1-18-7-8-19-11-16(18)15(17)10-12-5-6-13-3-2-4-14(13)9-12/h5-6,9,15-16H,2-4,7-8,10-11,17H2,1H3
InChIKeyFNLFNDAHFBAPBC-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.09
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine

2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine (PubChem CID 106444601) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
PubChem CID106444601
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCN1CCSCC1C(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2S/c1-18-7-8-19-11-16(18)15(17)10-12-5-6-13-3-2-4-14(13)9-12/h5-6,9,15-16H,2-4,7-8,10-11,17H2,1H3
InChIKeyFNLFNDAHFBAPBC-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106444508
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106444379
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine
CID 80623180
2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 107309197
(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444378
2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444534
1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 106444474
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445245
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444825
[2-(4-ethylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446480
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol
CID 79962796
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine (CID 106444601) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine is CN1CCSCC1C(N)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The InChIKey is FNLFNDAHFBAPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-18-7-8-19-11-16(18)15(17)10-12-5-6-13-3-2-4-14(13)9-12/h5-6,9,15-16H,2-4,7-8,10-11,17H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine has a molecular weight of 276.45 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine is sourced from PubChem (CID 106444601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).