N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine

C17H15NOS2 — CID 43788599

IUPACN-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESc1csc(-c2csc(CNc3ccc4c(c3)CCO4)c2)c1
InChIInChI=1S/C17H15NOS2/c1-2-17(20-7-1)13-9-15(21-11-13)10-18-14-3-4-16-12(8-14)5-6-19-16/h1-4,7-9,11,18H,5-6,10H2
InChIKeyOXKICYSNUAVJIM-UHFFFAOYSA-N
MW313.45 g/mol
LogP5.02
Rot. Bonds4

About N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine

N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 43788599) has the molecular formula C17H15NOS2 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID43788599
Molecular FormulaC17H15NOS2
Molecular Weight313.45 g/mol
Exact Mass313.06
IUPAC NameN-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESc1csc(-c2csc(CNc3ccc4c(c3)CCO4)c2)c1
InChIInChI=1S/C17H15NOS2/c1-2-17(20-7-1)13-9-15(21-11-13)10-18-14-3-4-16-12(8-14)5-6-19-16/h1-4,7-9,11,18H,5-6,10H2
InChIKeyOXKICYSNUAVJIM-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 63654803
4-N,4-N-dimethyl-1-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 43778754
4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43766039
N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732662
3-fluoro-4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43775928
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62345020
N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
N-(dithiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43788589
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
N-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732597
N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732600

Frequently Asked Questions

What is the IUPAC name of N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine (CID 43788599) is N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine is c1csc(-c2csc(CNc3ccc4c(c3)CCO4)c2)c1.
What is the InChIKey of N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is OXKICYSNUAVJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS2/c1-2-17(20-7-1)13-9-15(21-11-13)10-18-14-3-4-16-12(8-14)5-6-19-16/h1-4,7-9,11,18H,5-6,10H2.
What are the key properties of N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 313.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 43788599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).