[2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine

C17H19NS — CID 43530721

IUPAC[2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine
SMILESNCc1ccccc1CSc1ccc2c(c1)CCC2
InChIInChI=1S/C17H19NS/c18-11-15-4-1-2-5-16(15)12-19-17-9-8-13-6-3-7-14(13)10-17/h1-2,4-5,8-10H,3,6-7,11-12,18H2
InChIKeyWWSXDLREVRGGNG-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.93
Rot. Bonds4

About [2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine

[2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine (PubChem CID 43530721) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine
PubChem CID43530721
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name[2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine
SMILESNCc1ccccc1CSc1ccc2c(c1)CCC2
InChIInChI=1S/C17H19NS/c18-11-15-4-1-2-5-16(15)12-19-17-9-8-13-6-3-7-14(13)10-17/h1-2,4-5,8-10H,3,6-7,11-12,18H2
InChIKeyWWSXDLREVRGGNG-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]acetic acid
CID 115460864
2-amino-6-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)benzoic acid
CID 104825716
3-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2-fluorobenzoic acid
CID 107119844
5-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-2,3-dihydro-1H-indene
CID 107349678
3-bromo-5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)aniline
CID 103351167
[3-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethoxy]phenyl]methanamine
CID 43530717
5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2-methoxyaniline
CID 43153045
3-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)benzenecarboximidamide
CID 102668545
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
[5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80625386
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol
CID 117033721
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine (CID 43530721) is [2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine is NCc1ccccc1CSc1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine?
The InChIKey is WWSXDLREVRGGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c18-11-15-4-1-2-5-16(15)12-19-17-9-8-13-6-3-7-14(13)10-17/h1-2,4-5,8-10H,3,6-7,11-12,18H2.
What are the key properties of [2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine?
[2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine has a molecular weight of 269.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine is sourced from PubChem (CID 43530721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).