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

C12H18BrNOS — CID 79992393

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1cc(C)c(Br)s1)C1CCCCO1
InChIInChI=1S/C12H18BrNOS/c1-8-7-10(16-12(8)13)11(14-2)9-5-3-4-6-15-9/h7,9,11,14H,3-6H2,1-2H3
InChIKeyGOXJHADTTSXQRY-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.65
Rot. Bonds3

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

1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 79992393) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID79992393
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1cc(C)c(Br)s1)C1CCCCO1
InChIInChI=1S/C12H18BrNOS/c1-8-7-10(16-12(8)13)11(14-2)9-5-3-4-6-15-9/h7,9,11,14H,3-6H2,1-2H3
InChIKeyGOXJHADTTSXQRY-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 79991852
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)-3-(oxan-2-yl)propan-1-amine
CID 79991199
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052760
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 106682477
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 79991749
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine (CID 79992393) is 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine is CNC(c1cc(C)c(Br)s1)C1CCCCO1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is GOXJHADTTSXQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-8-7-10(16-12(8)13)11(14-2)9-5-3-4-6-15-9/h7,9,11,14H,3-6H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine?
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 304.25 g/mol, XLogP of 3.65, 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-(oxan-2-yl)methanamine is sourced from PubChem (CID 79992393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).