6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H18BrNS — CID 63626750

IUPAC6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCSc1ccccc1NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H18BrNS/c1-20-17-5-3-2-4-16(17)19-15-9-7-12-10-14(18)8-6-13(12)11-15/h2-6,8,10,15,19H,7,9,11H2,1H3
InChIKeyIFHPRNGYLUBWKY-UHFFFAOYSA-N
MW348.31 g/mol
LogP5.14
Rot. Bonds3

About 6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63626750) has the molecular formula C17H18BrNS and a molecular weight of 348.31 g/mol. Its IUPAC name is 6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63626750
Molecular FormulaC17H18BrNS
Molecular Weight348.31 g/mol
Exact Mass347.03
IUPAC Name6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCSc1ccccc1NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H18BrNS/c1-20-17-5-3-2-4-16(17)19-15-9-7-12-10-14(18)8-6-13(12)11-15/h2-6,8,10,15,19H,7,9,11H2,1H3
InChIKeyIFHPRNGYLUBWKY-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.31
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627795
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-6-fluorobenzonitrile
CID 63625689
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626922
6-bromo-N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 65469337
6-bromo-N-(2,5-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626729
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine
CID 63626601
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol
CID 63625345
6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627434
6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627297
6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82799779
6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627261

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63626750) is 6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CSc1ccccc1NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is IFHPRNGYLUBWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNS/c1-20-17-5-3-2-4-16(17)19-15-9-7-12-10-14(18)8-6-13(12)11-15/h2-6,8,10,15,19H,7,9,11H2,1H3.
What are the key properties of 6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 348.31 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63626750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).