1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine

C14H16BrNOS — CID 105150702

IUPAC1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESCNC(c1occc1Br)C1CCCc2sccc21
InChIInChI=1S/C14H16BrNOS/c1-16-13(14-11(15)5-7-17-14)10-3-2-4-12-9(10)6-8-18-12/h5-8,10,13,16H,2-4H2,1H3
InChIKeyZTVCEDUYSYJUFL-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.48
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine

1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (PubChem CID 105150702) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
PubChem CID105150702
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESCNC(c1occc1Br)C1CCCc2sccc21
InChIInChI=1S/C14H16BrNOS/c1-16-13(14-11(15)5-7-17-14)10-3-2-4-12-9(10)6-8-18-12/h5-8,10,13,16H,2-4H2,1H3
InChIKeyZTVCEDUYSYJUFL-UHFFFAOYSA-N
XLogP4.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine with MolForge

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Related Compounds

1-(3-bromofuran-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 64987211
1-(3,4-difluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105145687
N-methyl-1-(1-methylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 103134698
N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-4-yl)ethanamine
CID 123902681
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)prop-2-en-1-amine
CID 105161337
N-methyl-1-(3-propyltriazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105182311
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105186404
1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345943
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)but-3-en-1-amine
CID 105108662
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pentan-1-amine
CID 105125750
1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115861419
1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65393949

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (CID 105150702) is 1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is CNC(c1occc1Br)C1CCCc2sccc21.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The InChIKey is ZTVCEDUYSYJUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-16-13(14-11(15)5-7-17-14)10-3-2-4-12-9(10)6-8-18-12/h5-8,10,13,16H,2-4H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine has a molecular weight of 326.26 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is sourced from PubChem (CID 105150702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).