2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C17H18BrNOS — CID 64612644

IUPAC2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(Sc1ccc(Br)cc1)C2N
InChIInChI=1S/C17H18BrNOS/c1-20-13-5-8-15-11(10-13)2-9-16(17(15)19)21-14-6-3-12(18)4-7-14/h3-8,10,16-17H,2,9,19H2,1H3
InChIKeyQWEICKWFBYMRLN-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.56
Rot. Bonds3

About 2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64612644) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64612644
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(Sc1ccc(Br)cc1)C2N
InChIInChI=1S/C17H18BrNOS/c1-20-13-5-8-15-11(10-13)2-9-16(17(15)19)21-14-6-3-12(18)4-7-14/h3-8,10,16-17H,2,9,19H2,1H3
InChIKeyQWEICKWFBYMRLN-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
2-(4-fluorophenyl)sulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236126
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-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
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
2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13275748

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64612644) is 2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCC(Sc1ccc(Br)cc1)C2N.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QWEICKWFBYMRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-20-13-5-8-15-11(10-13)2-9-16(17(15)19)21-14-6-3-12(18)4-7-14/h3-8,10,16-17H,2,9,19H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 364.31 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64612644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).