6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine

C16H22BrNOS — CID 103784489

IUPAC6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCSC1CCCC(NC2CCOc3ccc(Br)cc32)C1
InChIInChI=1S/C16H22BrNOS/c1-20-13-4-2-3-12(10-13)18-15-7-8-19-16-6-5-11(17)9-14(15)16/h5-6,9,12-13,15,18H,2-4,7-8,10H2,1H3
InChIKeyYXLZKNWBOSCDSB-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.54
Rot. Bonds3

About 6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103784489) has the molecular formula C16H22BrNOS and a molecular weight of 356.33 g/mol. Its IUPAC name is 6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID103784489
Molecular FormulaC16H22BrNOS
Molecular Weight356.33 g/mol
Exact Mass355.06
IUPAC Name6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCSC1CCCC(NC2CCOc3ccc(Br)cc32)C1
InChIInChI=1S/C16H22BrNOS/c1-20-13-4-2-3-12(10-13)18-15-7-8-19-16-6-5-11(17)9-14(15)16/h5-6,9,12-13,15,18H,2-4,7-8,10H2,1H3
InChIKeyYXLZKNWBOSCDSB-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-tert-butylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 166094073
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CID 43512617
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 103784505
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79090045
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104827910
2-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935624
6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43777607
6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107597702
6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine
CID 82709942
6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
CID 43755416

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (CID 103784489) is 6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is CSC1CCCC(NC2CCOc3ccc(Br)cc32)C1.
What is the InChIKey of 6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YXLZKNWBOSCDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNOS/c1-20-13-4-2-3-12(10-13)18-15-7-8-19-16-6-5-11(17)9-14(15)16/h5-6,9,12-13,15,18H,2-4,7-8,10H2,1H3.
What are the key properties of 6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 356.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methylsulfanylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103784489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).