1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine

C14H14BrNOS — CID 105010610

IUPAC1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)COC2)c1cscc1Br
InChIInChI=1S/C14H14BrNOS/c1-16-14(12-7-18-8-13(12)15)9-2-3-10-5-17-6-11(10)4-9/h2-4,7-8,14,16H,5-6H2,1H3
InChIKeyJSGVVXHLPVDTDX-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.85
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine

1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine (PubChem CID 105010610) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
PubChem CID105010610
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)COC2)c1cscc1Br
InChIInChI=1S/C14H14BrNOS/c1-16-14(12-7-18-8-13(12)15)9-2-3-10-5-17-6-11(10)4-9/h2-4,7-8,14,16H,5-6H2,1H3
InChIKeyJSGVVXHLPVDTDX-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromothiophen-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 105010828
1-(2,4-dibromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107950588
1-(4-bromothiophen-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 105010417
1-(2-bromo-3-methylphenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107982028
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 63020408
1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
CID 79595205
1-(2,3-difluoro-4-methylphenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107515480
1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 63018999
1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 105021849
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63186146
1-(4-bromothiophen-3-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105010884
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine (CID 105010610) is 1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)COC2)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine?
The InChIKey is JSGVVXHLPVDTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-16-14(12-7-18-8-13(12)15)9-2-3-10-5-17-6-11(10)4-9/h2-4,7-8,14,16H,5-6H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine?
1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine has a molecular weight of 324.24 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105010610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).