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

C16H21NO — CID 55067360

IUPACN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
SMILESCCc1c(C(C)NC2CCC2)oc2ccccc12
InChIInChI=1S/C16H21NO/c1-3-13-14-9-4-5-10-15(14)18-16(13)11(2)17-12-7-6-8-12/h4-5,9-12,17H,3,6-8H2,1-2H3
InChIKeyLBGLKVLBDBLNJP-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.20
Rot. Bonds4

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

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine (PubChem CID 55067360) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
PubChem CID55067360
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
SMILESCCc1c(C(C)NC2CCC2)oc2ccccc12
InChIInChI=1S/C16H21NO/c1-3-13-14-9-4-5-10-15(14)18-16(13)11(2)17-12-7-6-8-12/h4-5,9-12,17H,3,6-8H2,1-2H3
InChIKeyLBGLKVLBDBLNJP-UHFFFAOYSA-N
XLogP4.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 114544145
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine
CID 61462424
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715279
1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine
CID 62536168
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine
CID 43761485
1-(3-ethyl-1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204821
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 103930642
N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
CID 43108977
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725869
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 104578869
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103921055

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine?
The IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine (CID 55067360) is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine.
What is the SMILES notation for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine?
The canonical SMILES for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine is CCc1c(C(C)NC2CCC2)oc2ccccc12.
What is the InChIKey of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine?
The InChIKey is LBGLKVLBDBLNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-13-14-9-4-5-10-15(14)18-16(13)11(2)17-12-7-6-8-12/h4-5,9-12,17H,3,6-8H2,1-2H3.
What are the key properties of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine?
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine has a molecular weight of 243.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine is sourced from PubChem (CID 55067360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).