N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine

C18H21NS — CID 63809220

IUPACN-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H21NS/c1-2-19-13-14-6-9-17(10-7-14)20-18-11-8-15-4-3-5-16(15)12-18/h6-12,19H,2-5,13H2,1H3
InChIKeyHNRUCARAIFFCPX-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.44
Rot. Bonds5

About N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine

N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine (PubChem CID 63809220) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
PubChem CID63809220
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H21NS/c1-2-19-13-14-6-9-17(10-7-14)20-18-11-8-15-4-3-5-16(15)12-18/h6-12,19H,2-5,13H2,1H3
InChIKeyHNRUCARAIFFCPX-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 114864251
N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine
CID 63808332
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine
CID 63819994
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
CID 43330702
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(ethylamino)acetamide
CID 115157865
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
CID 63427980
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974
N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 83963309
N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine
CID 81152008
6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene
CID 144987176
4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile
CID 82123165

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine (CID 63809220) is N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine is CCNCc1ccc(Sc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine?
The InChIKey is HNRUCARAIFFCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-2-19-13-14-6-9-17(10-7-14)20-18-11-8-15-4-3-5-16(15)12-18/h6-12,19H,2-5,13H2,1H3.
What are the key properties of N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine?
N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine has a molecular weight of 283.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63809220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).