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

C13H12BrNOS — CID 113425095

IUPAC(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1cc(Br)cs1
InChIInChI=1S/C13H12BrNOS/c14-10-6-12(17-7-10)13(15)9-1-2-11-8(5-9)3-4-16-11/h1-2,5-7,13H,3-4,15H2
InChIKeyDGTBWZCBQFYTCA-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.49
Rot. Bonds2

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

(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 113425095) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID113425095
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC Name(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1cc(Br)cs1
InChIInChI=1S/C13H12BrNOS/c14-10-6-12(17-7-10)13(15)9-1-2-11-8(5-9)3-4-16-11/h1-2,5-7,13H,3-4,15H2
InChIKeyDGTBWZCBQFYTCA-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43464388
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
CID 171202497
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733287
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237495
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
CID 79693199
[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 116937080
(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107981824
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methanamine
CID 43464379

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 113425095) is (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine is NC(c1ccc2c(c1)CCO2)c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is DGTBWZCBQFYTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c14-10-6-12(17-7-10)13(15)9-1-2-11-8(5-9)3-4-16-11/h1-2,5-7,13H,3-4,15H2.
What are the key properties of (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 310.22 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 113425095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).