N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine

C18H21NOS — CID 105044087

IUPACN-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2ccccc2o1)c1sccc1CC
InChIInChI=1S/C18H21NOS/c1-3-10-19-17(18-13(4-2)9-11-21-18)16-12-14-7-5-6-8-15(14)20-16/h5-9,11-12,17,19H,3-4,10H2,1-2H3
InChIKeyOPESWRNNPLKFOY-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.15
Rot. Bonds6

About N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine

N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 105044087) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID105044087
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2ccccc2o1)c1sccc1CC
InChIInChI=1S/C18H21NOS/c1-3-10-19-17(18-13(4-2)9-11-21-18)16-12-14-7-5-6-8-15(14)20-16/h5-9,11-12,17,19H,3-4,10H2,1-2H3
InChIKeyOPESWRNNPLKFOY-UHFFFAOYSA-N
XLogP5.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-ethylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338244
N-[(3,5-difluorophenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115851656
N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115853680
N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045202
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
N-[(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302882
N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374532
N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79973512
N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 105043923
N-[(7-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 105045492
N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729081
N-[(3-bromothiophen-2-yl)-(5-chloro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045794

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine (CID 105044087) is N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cc2ccccc2o1)c1sccc1CC.
What is the InChIKey of N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is OPESWRNNPLKFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-3-10-19-17(18-13(4-2)9-11-21-18)16-12-14-7-5-6-8-15(14)20-16/h5-9,11-12,17,19H,3-4,10H2,1-2H3.
What are the key properties of N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105044087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).