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

C15H17NOS — CID 63020064

IUPACN-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H17NOS/c1-2-16-15(13-5-6-18-10-13)11-3-4-12-8-17-9-14(12)7-11/h3-7,10,15-16H,2,8-9H2,1H3
InChIKeyVMCZNIWPGDFYQB-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.48
Rot. Bonds4

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

N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine (PubChem CID 63020064) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine
PubChem CID63020064
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H17NOS/c1-2-16-15(13-5-6-18-10-13)11-3-4-12-8-17-9-14(12)7-11/h3-7,10,15-16H,2,8-9H2,1H3
InChIKeyVMCZNIWPGDFYQB-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,3-dihydro-2-benzofuran-5-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212876
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 63021107
N-[(3-chloro-4-iodophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 103220344
N-[1,3-dihydro-2-benzofuran-5-yl-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 63731219
N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
CID 63019538
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63731632
N-[(4,5-dibromothiophen-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 80534031
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[(5-bromo-4-methylthiophen-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 79982109
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707
N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine
CID 65104878
N-[1,3-dihydro-2-benzofuran-5-yl-(5-nitrofuran-2-yl)methyl]ethanamine
CID 63020239

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine (CID 63020064) is N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine is CCNC(c1ccsc1)c1ccc2c(c1)COC2.
What is the InChIKey of N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine?
The InChIKey is VMCZNIWPGDFYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-16-15(13-5-6-18-10-13)11-3-4-12-8-17-9-14(12)7-11/h3-7,10,15-16H,2,8-9H2,1H3.
What are the key properties of N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine?
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine has a molecular weight of 259.37 g/mol, XLogP of 3.48, 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(thiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 63020064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).