N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine

C17H21NOS — CID 63731219

IUPACN-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)COC2)c1cc(C)sc1C
InChIInChI=1S/C17H21NOS/c1-4-18-17(16-7-11(2)20-12(16)3)13-5-6-14-9-19-10-15(14)8-13/h5-8,17-18H,4,9-10H2,1-3H3
InChIKeyMAQUZJYTAFDYIP-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.09
Rot. Bonds4

About N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine

N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine (PubChem CID 63731219) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
PubChem CID63731219
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)COC2)c1cc(C)sc1C
InChIInChI=1S/C17H21NOS/c1-4-18-17(16-7-11(2)20-12(16)3)13-5-6-14-9-19-10-15(14)8-13/h5-8,17-18H,4,9-10H2,1-3H3
InChIKeyMAQUZJYTAFDYIP-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 63021107
N-[(5-bromo-4-methylthiophen-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 79982109
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine
CID 63020064
N-[(4,5-dibromothiophen-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 80534031
N-[1,3-dihydro-2-benzofuran-5-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212876
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019891
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63731632
N-[(3-chloro-4-iodophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 103220344
N-[(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185029
N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
CID 63019538
N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 43491878
N-[(2-bromofuran-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 106851805

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine (CID 63731219) is N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)COC2)c1cc(C)sc1C.
What is the InChIKey of N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine?
The InChIKey is MAQUZJYTAFDYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-4-18-17(16-7-11(2)20-12(16)3)13-5-6-14-9-19-10-15(14)8-13/h5-8,17-18H,4,9-10H2,1-3H3.
What are the key properties of N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine?
N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 63731219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).