6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H19NOS — CID 64619980

IUPAC6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(Sc1ccccc1)C2N
InChIInChI=1S/C17H19NOS/c1-19-13-8-9-15-12(11-13)7-10-16(17(15)18)20-14-5-3-2-4-6-14/h2-6,8-9,11,16-17H,7,10,18H2,1H3
InChIKeyLAAPDDVVBFHWRJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.80
Rot. Bonds3

About 6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64619980) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64619980
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(Sc1ccccc1)C2N
InChIInChI=1S/C17H19NOS/c1-19-13-8-9-15-12(11-13)7-10-16(17(15)18)20-14-5-3-2-4-6-14/h2-6,8-9,11,16-17H,7,10,18H2,1H3
InChIKeyLAAPDDVVBFHWRJ-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612644
6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64649458
6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64647734
2-(4-fluorophenyl)sulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236126
2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612568
6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107762876
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261
2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
7-methoxy-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237114
7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763288
2-cyclohexylsulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247855

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64619980) is 6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCC(Sc1ccccc1)C2N.
What is the InChIKey of 6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LAAPDDVVBFHWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-19-13-8-9-15-12(11-13)7-10-16(17(15)18)20-14-5-3-2-4-6-14/h2-6,8-9,11,16-17H,7,10,18H2,1H3.
What are the key properties of 6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.41 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64619980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).