N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine

C16H21NO2 — CID 112553006

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cc3ccccc3o2)C1
InChIInChI=1S/C16H21NO2/c1-3-18-14-9-13(10-14)17-11(2)16-8-12-6-4-5-7-15(12)19-16/h4-8,11,13-14,17H,3,9-10H2,1-2H3
InChIKeyNQCWILIFVRSAMK-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.65
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine

N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine (PubChem CID 112553006) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine
PubChem CID112553006
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cc3ccccc3o2)C1
InChIInChI=1S/C16H21NO2/c1-3-18-14-9-13(10-14)17-11(2)16-8-12-6-4-5-7-15(12)19-16/h4-8,11,13-14,17H,3,9-10H2,1-2H3
InChIKeyNQCWILIFVRSAMK-UHFFFAOYSA-N
XLogP3.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233
4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine
CID 62314222
N-[1-(1-benzofuran-2-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585216
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 103917481
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
(3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 97103014
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703
N-[1-(1-benzofuran-2-yl)ethyl]-5,5-dimethylthian-3-amine
CID 79959026
N-[1-(1-benzofuran-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298491
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine (CID 112553006) is N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine is CCOC1CC(NC(C)c2cc3ccccc3o2)C1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine?
The InChIKey is NQCWILIFVRSAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-18-14-9-13(10-14)17-11(2)16-8-12-6-4-5-7-15(12)19-16/h4-8,11,13-14,17H,3,9-10H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 112553006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).