N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine

C12H16BrNS — CID 79941633

IUPACN-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine
SMILESCc1ccc(Br)cc1NC1CSC(C)C1
InChIInChI=1S/C12H16BrNS/c1-8-3-4-10(13)6-12(8)14-11-5-9(2)15-7-11/h3-4,6,9,11,14H,5,7H2,1-2H3
InChIKeyXWVUKRGZIXPDEU-UHFFFAOYSA-N
MW286.24 g/mol
LogP4.06
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine

N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine (PubChem CID 79941633) has the molecular formula C12H16BrNS and a molecular weight of 286.24 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine
PubChem CID79941633
Molecular FormulaC12H16BrNS
Molecular Weight286.24 g/mol
Exact Mass285.02
IUPAC NameN-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine
SMILESCc1ccc(Br)cc1NC1CSC(C)C1
InChIInChI=1S/C12H16BrNS/c1-8-3-4-10(13)6-12(8)14-11-5-9(2)15-7-11/h3-4,6,9,11,14H,5,7H2,1-2H3
InChIKeyXWVUKRGZIXPDEU-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine
CID 79949965
N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine
CID 79942337
N-(5-bromo-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79949843
1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine
CID 80560844
N-(5-bromo-2-methylphenyl)thian-4-amine
CID 43729710
5-bromo-N-[3-(4-bromophenyl)cyclobutyl]-2-methylaniline
CID 43729681
5-bromo-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
CID 43729668
5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 112681987
N-(5-bromo-2-methylphenyl)adamantan-2-amine
CID 43729666
N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
CID 79942146
N-(4,5-dimethyl-2-nitrophenyl)-5-methylthiolan-3-amine
CID 79949135
5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline
CID 80705464

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine?
The IUPAC name of N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine (CID 79941633) is N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine is Cc1ccc(Br)cc1NC1CSC(C)C1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine?
The InChIKey is XWVUKRGZIXPDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNS/c1-8-3-4-10(13)6-12(8)14-11-5-9(2)15-7-11/h3-4,6,9,11,14H,5,7H2,1-2H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine?
N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine has a molecular weight of 286.24 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine is sourced from PubChem (CID 79941633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).