methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol

C17H21NOS — CID 170707186

IUPACmethanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol
SMILESCN.Oc1cccc(Sc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C16H16OS.CH5N/c17-14-6-3-7-15(11-14)18-16-9-8-12-4-1-2-5-13(12)10-16;1-2/h3,6-11,17H,1-2,4-5H2;2H2,1H3
InChIKeyCHCZFFATKKQENC-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.00
Rot. Bonds2

About methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol

methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol (PubChem CID 170707186) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol.

Molecular Properties

Compound Namemethanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol
PubChem CID170707186
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Namemethanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol
SMILESCN.Oc1cccc(Sc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C16H16OS.CH5N/c17-14-6-3-7-15(11-14)18-16-9-8-12-4-1-2-5-13(12)10-16;1-2/h3,6-11,17H,1-2,4-5H2;2H2,1H3
InChIKeyCHCZFFATKKQENC-UHFFFAOYSA-N
XLogP4.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene
CID 144987176
3-(4-methylphenyl)sulfanylphenol
CID 20780501
N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 63809220
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
CID 43330702
4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile
CID 82123165
3-methyl-7-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine
CID 22368283
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine
CID 63819994
3-(4-dodecylphenyl)sulfanylphenol
CID 19594225
2-(3-hydroxyphenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 104590888
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine
CID 80893063
methyl 3-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzoate
CID 115935930
(1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59021705

Frequently Asked Questions

What is the IUPAC name of methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol?
The IUPAC name of methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol (CID 170707186) is methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol.
What is the SMILES notation for methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol?
The canonical SMILES for methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol is CN.Oc1cccc(Sc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol?
The InChIKey is CHCZFFATKKQENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS.CH5N/c17-14-6-3-7-15(11-14)18-16-9-8-12-4-1-2-5-13(12)10-16;1-2/h3,6-11,17H,1-2,4-5H2;2H2,1H3.
What are the key properties of methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol?
methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol has a molecular weight of 287.43 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol is sourced from PubChem (CID 170707186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).