2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NOS — CID 64612568

IUPAC2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)SC1CCc2cc(OC)ccc2C1N
InChIInChI=1S/C15H23NOS/c1-4-10(2)18-14-8-5-11-9-12(17-3)6-7-13(11)15(14)16/h6-7,9-10,14-15H,4-5,8,16H2,1-3H3
InChIKeyPEZOYSJMPTVRSH-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.54
Rot. Bonds4

About 2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64612568) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64612568
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)SC1CCc2cc(OC)ccc2C1N
InChIInChI=1S/C15H23NOS/c1-4-10(2)18-14-8-5-11-9-12(17-3)6-7-13(11)15(14)16/h6-7,9-10,14-15H,4-5,8,16H2,1-3H3
InChIKeyPEZOYSJMPTVRSH-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107762876
6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64649458
7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763288
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64652727
2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612644
6-methoxy-2-N-propan-2-yl-2-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 43269499
N-ethyl-6-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763324
6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64647734
2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64612568) is 2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is CCC(C)SC1CCc2cc(OC)ccc2C1N.
What is the InChIKey of 2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PEZOYSJMPTVRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-10(2)18-14-8-5-11-9-12(17-3)6-7-13(11)15(14)16/h6-7,9-10,14-15H,4-5,8,16H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64612568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).