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

C13H13NOS — CID 43732662

IUPACN-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc(CNc2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C13H13NOS/c1-2-13-11(3-5-15-13)7-12(1)14-8-10-4-6-16-9-10/h1-2,4,6-7,9,14H,3,5,8H2
InChIKeyGCGOYOTZLPVDGI-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.30
Rot. Bonds3

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

N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 43732662) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID43732662
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC NameN-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc(CNc2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C13H13NOS/c1-2-13-11(3-5-15-13)7-12(1)14-8-10-4-6-16-9-10/h1-2,4,6-7,9,14H,3,5,8H2
InChIKeyGCGOYOTZLPVDGI-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659
N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881527
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 66408734
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 63654803
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62345020
N-(thiophen-3-ylmethyl)-9H-fluoren-2-amine
CID 22663948
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115526259

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine (CID 43732662) is N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine is c1cc(CNc2ccc3c(c2)CCO3)cs1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is GCGOYOTZLPVDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-2-13-11(3-5-15-13)7-12(1)14-8-10-4-6-16-9-10/h1-2,4,6-7,9,14H,3,5,8H2.
What are the key properties of N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 231.32 g/mol, XLogP of 3.30, 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)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 43732662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).