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

C15H23NS — CID 114194407

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCC(C)CSCC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NS/c1-11(2)9-17-10-15(16)14-7-6-12-4-3-5-13(12)8-14/h6-8,11,15H,3-5,9-10,16H2,1-2H3
InChIKeyOOIBPHUHDSMDNG-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.56
Rot. Bonds5

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

1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine (PubChem CID 114194407) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine
PubChem CID114194407
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCC(C)CSCC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NS/c1-11(2)9-17-10-15(16)14-7-6-12-4-3-5-13(12)8-14/h6-8,11,15H,3-5,9-10,16H2,1-2H3
InChIKeyOOIBPHUHDSMDNG-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
1-(3-chloro-4-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 107560319
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
2-methoxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 82283128
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 54927474
1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
CID 104987476
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
2-(4-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43152415
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylphenyl)ethanamine
CID 43115557

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine (CID 114194407) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine is CC(C)CSCC(N)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine?
The InChIKey is OOIBPHUHDSMDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11(2)9-17-10-15(16)14-7-6-12-4-3-5-13(12)8-14/h6-8,11,15H,3-5,9-10,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine?
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine has a molecular weight of 249.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine is sourced from PubChem (CID 114194407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).