N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine

C15H21NOS — CID 105189400

IUPACN-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCC2)C1CCSC1
InChIInChI=1S/C15H21NOS/c1-2-16-14(12-7-9-18-10-12)13-5-3-4-11-6-8-17-15(11)13/h3-5,12,14,16H,2,6-10H2,1H3
InChIKeyIVNFDTCCWRKASG-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.03
Rot. Bonds4

About N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine

N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine (PubChem CID 105189400) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine
PubChem CID105189400
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCC2)C1CCSC1
InChIInChI=1S/C15H21NOS/c1-2-16-14(12-7-9-18-10-12)13-5-3-4-11-6-8-17-15(11)13/h3-5,12,14,16H,2,6-10H2,1H3
InChIKeyIVNFDTCCWRKASG-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydro-1-benzofuran-7-yl(thian-2-yl)methyl]ethanamine
CID 114745936
N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105053489
N-[2,3-dihydro-1-benzofuran-7-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346208
N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745571
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 105053334
N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 114745087
N-[2,3-dihydro-1-benzofuran-7-yl-(1,1-dioxothiolan-3-yl)methyl]propan-1-amine
CID 114745996
2-(3,4-dihydro-1H-isochromen-1-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
CID 114984444
N-[2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105053509
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine
CID 114744941
N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 114745396
N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 105189422

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine (CID 105189400) is N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine is CCNC(c1cccc2c1OCC2)C1CCSC1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine?
The InChIKey is IVNFDTCCWRKASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-16-14(12-7-9-18-10-12)13-5-3-4-11-6-8-17-15(11)13/h3-5,12,14,16H,2,6-10H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105189400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).