1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine

C11H16BrNOS — CID 79991852

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1cc(C)c(Br)s1)C1CCCO1
InChIInChI=1S/C11H16BrNOS/c1-7-6-9(15-11(7)12)10(13-2)8-4-3-5-14-8/h6,8,10,13H,3-5H2,1-2H3
InChIKeyLJWCYWVNECHVOH-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.26
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine

1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 79991852) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID79991852
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1cc(C)c(Br)s1)C1CCCO1
InChIInChI=1S/C11H16BrNOS/c1-7-6-9(15-11(7)12)10(13-2)8-4-3-5-14-8/h6,8,10,13H,3-5H2,1-2H3
InChIKeyLJWCYWVNECHVOH-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 79992393
1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 79991112
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 65279713
1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 81156279
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052760
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 79991749
N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine
CID 103302330
N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741
N-[(3-bromo-5-methylthiophen-2-yl)-(oxolan-2-yl)methyl]ethanamine
CID 65279468
1-(5-bromo-4-methylthiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 79991199
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43480086
1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481680

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 79991852) is 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine is CNC(c1cc(C)c(Br)s1)C1CCCO1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is LJWCYWVNECHVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-7-6-9(15-11(7)12)10(13-2)8-4-3-5-14-8/h6,8,10,13H,3-5H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 290.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 79991852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).