[5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

C13H12BrNOS — CID 113443092

IUPAC[5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESNCc1cc(-c2sccc2Br)cc2c1OCC2
InChIInChI=1S/C13H12BrNOS/c14-11-2-4-17-13(11)9-5-8-1-3-16-12(8)10(6-9)7-15/h2,4-6H,1,3,7,15H2
InChIKeyZDWBFXZTGGMUKO-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.57
Rot. Bonds2

About [5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

[5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine (PubChem CID 113443092) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is [5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine.

Molecular Properties

Compound Name[5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
PubChem CID113443092
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC Name[5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESNCc1cc(-c2sccc2Br)cc2c1OCC2
InChIInChI=1S/C13H12BrNOS/c14-11-2-4-17-13(11)9-5-8-1-3-16-12(8)10(6-9)7-15/h2,4-6H,1,3,7,15H2
InChIKeyZDWBFXZTGGMUKO-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine with MolForge

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Related Compounds

[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703299
[5-(3,4,5-trifluorophenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703330
[5-(2,4,5-trifluorophenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703413
[5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703353
[5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703447
[5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703465
[5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703426
[5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 102708645
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 105031711
5-bromo-7-[bromo-(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543607
(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine
CID 117361687
3-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-2-carboxamide
CID 104701971

Frequently Asked Questions

What is the IUPAC name of [5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The IUPAC name of [5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine (CID 113443092) is [5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine.
What is the SMILES notation for [5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The canonical SMILES for [5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine is NCc1cc(-c2sccc2Br)cc2c1OCC2.
What is the InChIKey of [5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The InChIKey is ZDWBFXZTGGMUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c14-11-2-4-17-13(11)9-5-8-1-3-16-12(8)10(6-9)7-15/h2,4-6H,1,3,7,15H2.
What are the key properties of [5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
[5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine has a molecular weight of 310.22 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-7-yl]methanamine is sourced from PubChem (CID 113443092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).