6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C17H18BrNOS — CID 64653464

IUPAC6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1S(=O)c1ccccc1Br
InChIInChI=1S/C17H18BrNOS/c18-14-9-3-4-10-15(14)21(20)16-11-5-7-12-6-1-2-8-13(12)17(16)19/h1-4,6,8-10,16-17H,5,7,11,19H2
InChIKeyLLNPTLCKOOQQMG-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.96
Rot. Bonds2

About 6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 64653464) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID64653464
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1S(=O)c1ccccc1Br
InChIInChI=1S/C17H18BrNOS/c18-14-9-3-4-10-15(14)21(20)16-11-5-7-12-6-1-2-8-13(12)17(16)19/h1-4,6,8-10,16-17H,5,7,11,19H2
InChIKeyLLNPTLCKOOQQMG-UHFFFAOYSA-N
XLogP3.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64657189
2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64657542
3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine
CID 64905718
6-(3-methoxypropylsulfinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64657442
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
6-(benzenesulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64658647
1,2,3,4-tetrahydronaphthalene-1-sulfinate
CID 68909659
CID 59863888
CID 59863888
6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403373
6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62141015
6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16787660
6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403688

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 64653464) is 6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is NC1c2ccccc2CCCC1S(=O)c1ccccc1Br.
What is the InChIKey of 6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is LLNPTLCKOOQQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c18-14-9-3-4-10-15(14)21(20)16-11-5-7-12-6-1-2-8-13(12)17(16)19/h1-4,6,8-10,16-17H,5,7,11,19H2.
What are the key properties of 6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 364.31 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 64653464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).