N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine

C14H17NO — CID 79690307

IUPACN-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
SMILESCC(NCc1coc2ccccc12)C1CC1
InChIInChI=1S/C14H17NO/c1-10(11-6-7-11)15-8-12-9-16-14-5-3-2-4-13(12)14/h2-5,9-11,15H,6-8H2,1H3
InChIKeyHCFOHVXBWCDFQJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.32
Rot. Bonds4

About N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine

N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine (PubChem CID 79690307) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
PubChem CID79690307
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
SMILESCC(NCc1coc2ccccc12)C1CC1
InChIInChI=1S/C14H17NO/c1-10(11-6-7-11)15-8-12-9-16-14-5-3-2-4-13(12)14/h2-5,9-11,15H,6-8H2,1H3
InChIKeyHCFOHVXBWCDFQJ-UHFFFAOYSA-N
XLogP3.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
CID 80700753
N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 80701361
N-(1-benzofuran-3-ylmethyl)but-3-en-2-amine
CID 115750474
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 80703134
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
CID 115750447
N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115750426
(1R)-N-(1-benzofuran-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 81354686

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine (CID 79690307) is N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine is CC(NCc1coc2ccccc12)C1CC1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine?
The InChIKey is HCFOHVXBWCDFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(11-6-7-11)15-8-12-9-16-14-5-3-2-4-13(12)14/h2-5,9-11,15H,6-8H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine?
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine has a molecular weight of 215.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine is sourced from PubChem (CID 79690307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).