N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine

C15H19NO2 — CID 103917742

IUPACN-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2coc3ccccc23)C1
InChIInChI=1S/C15H19NO2/c1-2-17-13-7-12(8-13)16-9-11-10-18-15-6-4-3-5-14(11)15/h3-6,10,12-13,16H,2,7-9H2,1H3
InChIKeyDGJCOLSIVMMAHN-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.09
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine

N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine (PubChem CID 103917742) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine
PubChem CID103917742
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2coc3ccccc23)C1
InChIInChI=1S/C15H19NO2/c1-2-17-13-7-12(8-13)16-9-11-10-18-15-6-4-3-5-14(11)15/h3-6,10,12-13,16H,2,7-9H2,1H3
InChIKeyDGJCOLSIVMMAHN-UHFFFAOYSA-N
XLogP3.09
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine
CID 103917632
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine
CID 103921121
4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 115150174
5-(1-benzofuran-3-ylmethylamino)piperidin-2-one
CID 80700614
3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine
CID 115903723
N-(1-benzofuran-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 80701565
N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714828
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271001
2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide
CID 126807617

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine (CID 103917742) is N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine is CCOC1CC(NCc2coc3ccccc23)C1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine?
The InChIKey is DGJCOLSIVMMAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-17-13-7-12(8-13)16-9-11-10-18-15-6-4-3-5-14(11)15/h3-6,10,12-13,16H,2,7-9H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine?
N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine has a molecular weight of 245.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 103917742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).