1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine

C12H18BrNOS — CID 65279713

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1sc(C)cc1Br)C1CCCCO1
InChIInChI=1S/C12H18BrNOS/c1-8-7-9(13)12(16-8)11(14-2)10-5-3-4-6-15-10/h7,10-11,14H,3-6H2,1-2H3
InChIKeyOIOSYLBPMFBTCN-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.65
Rot. Bonds3

About 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine

1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 65279713) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID65279713
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1sc(C)cc1Br)C1CCCCO1
InChIInChI=1S/C12H18BrNOS/c1-8-7-9(13)12(16-8)11(14-2)10-5-3-4-6-15-10/h7,10-11,14H,3-6H2,1-2H3
InChIKeyOIOSYLBPMFBTCN-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-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 81156279
N-[(3-bromo-5-methylthiophen-2-yl)-(oxolan-2-yl)methyl]ethanamine
CID 65279468
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 79992393
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 79991852
1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 107001273
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
CID 65279451
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 65279032
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 104657440
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 106682477

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine (CID 65279713) is 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine is CNC(c1sc(C)cc1Br)C1CCCCO1.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is OIOSYLBPMFBTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-8-7-9(13)12(16-8)11(14-2)10-5-3-4-6-15-10/h7,10-11,14H,3-6H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine?
1-(3-bromo-5-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-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 65279713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).