N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine

C13H13NOS — CID 115881527

IUPACN-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
SMILESc1cc(CNc2ccc3c(c2)COC3)cs1
InChIInChI=1S/C13H13NOS/c1-2-13(5-12-8-15-7-11(1)12)14-6-10-3-4-16-9-10/h1-5,9,14H,6-8H2
InChIKeyXTXONSGUHBAZIK-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.39
Rot. Bonds3

About N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine

N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine (PubChem CID 115881527) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
PubChem CID115881527
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC NameN-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
SMILESc1cc(CNc2ccc3c(c2)COC3)cs1
InChIInChI=1S/C13H13NOS/c1-2-13(5-12-8-15-7-11(1)12)14-6-10-3-4-16-9-10/h1-5,9,14H,6-8H2
InChIKeyXTXONSGUHBAZIK-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 113345249
N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732662
N-(thiophen-3-ylmethyl)-9H-fluoren-2-amine
CID 22663948
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 97157179
4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline
CID 115758186
4-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 63247673
4-phenyl-N-(thiophen-3-ylmethyl)aniline
CID 43716853
4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline
CID 65025400
N-(thiophen-3-ylmethyl)-1H-indazol-5-amine
CID 43690874
[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol
CID 113345604
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 115856930
N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 130165125

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine (CID 115881527) is N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine is c1cc(CNc2ccc3c(c2)COC3)cs1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine?
The InChIKey is XTXONSGUHBAZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-2-13(5-12-8-15-7-11(1)12)14-6-10-3-4-16-9-10/h1-5,9,14H,6-8H2.
What are the key properties of N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine?
N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine has a molecular weight of 231.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine is sourced from PubChem (CID 115881527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).