2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine

C13H13NOS — CID 114744888

IUPAC2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine
SMILESNC(c1ccsc1)c1cccc2c1OCC2
InChIInChI=1S/C13H13NOS/c14-12(10-5-7-16-8-10)11-3-1-2-9-4-6-15-13(9)11/h1-3,5,7-8,12H,4,6,14H2
InChIKeyPVBRMBULOVPFAH-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.73
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine

2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine (PubChem CID 114744888) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine
PubChem CID114744888
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine
SMILESNC(c1ccsc1)c1cccc2c1OCC2
InChIInChI=1S/C13H13NOS/c14-12(10-5-7-16-8-10)11-3-1-2-9-4-6-15-13(9)11/h1-3,5,7-8,12H,4,6,14H2
InChIKeyPVBRMBULOVPFAH-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
CID 114743275
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
CID 114745149
(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187279
2,3-dihydro-1-benzofuran-7-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755970
(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053279
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
CID 114744967
(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107953818
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2,2-trifluoroethanamine
CID 112704592
3-[(R)-amino(thiophen-3-yl)methyl]benzene-1,2-diol
CID 171220543

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine (CID 114744888) is 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine is NC(c1ccsc1)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine?
The InChIKey is PVBRMBULOVPFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c14-12(10-5-7-16-8-10)11-3-1-2-9-4-6-15-13(9)11/h1-3,5,7-8,12H,4,6,14H2.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine?
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine has a molecular weight of 231.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine is sourced from PubChem (CID 114744888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).