1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine

C19H23NS — CID 63819994

IUPAC1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H23NS/c1-2-17(20)12-14-6-9-18(10-7-14)21-19-11-8-15-4-3-5-16(15)13-19/h6-11,13,17H,2-5,12,20H2,1H3
InChIKeyQMGSDFLFNGTGAU-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.61
Rot. Bonds5

About 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine

1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine (PubChem CID 63819994) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine
PubChem CID63819994
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H23NS/c1-2-17(20)12-14-6-9-18(10-7-14)21-19-11-8-15-4-3-5-16(15)13-19/h6-11,13,17H,2-5,12,20H2,1H3
InChIKeyQMGSDFLFNGTGAU-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 63809220
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
CID 65127704
1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine
CID 55238363
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
CID 43330702
1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine
CID 116760450
4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile
CID 82123165
6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene
CID 144987176
methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol
CID 170707186
1-cyclopentyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 115865018
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
CID 65092625
1-[3-chloro-4-(4-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 81160027

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine?
The IUPAC name of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine (CID 63819994) is 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine is CCC(N)Cc1ccc(Sc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine?
The InChIKey is QMGSDFLFNGTGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-2-17(20)12-14-6-9-18(10-7-14)21-19-11-8-15-4-3-5-16(15)13-19/h6-11,13,17H,2-5,12,20H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine?
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine has a molecular weight of 297.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine is sourced from PubChem (CID 63819994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).