3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine

C16H21NO3 — CID 104584510

IUPAC3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine
SMILESCOc1cccc2cc(C(C)NC3CC(OC)C3)oc12
InChIInChI=1S/C16H21NO3/c1-10(17-12-8-13(9-12)18-2)15-7-11-5-4-6-14(19-3)16(11)20-15/h4-7,10,12-13,17H,8-9H2,1-3H3
InChIKeyYADAPSUBAAZMSU-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.27
Rot. Bonds5

About 3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine

3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 104584510) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine
PubChem CID104584510
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine
SMILESCOc1cccc2cc(C(C)NC3CC(OC)C3)oc12
InChIInChI=1S/C16H21NO3/c1-10(17-12-8-13(9-12)18-2)15-7-11-5-4-6-14(19-3)16(11)20-15/h4-7,10,12-13,17H,8-9H2,1-3H3
InChIKeyYADAPSUBAAZMSU-UHFFFAOYSA-N
XLogP3.27
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine 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-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
CID 43200727
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]thian-3-amine
CID 115882048
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-propylcyclopropan-1-amine
CID 103921920
N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 43244143
cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51671753
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 75427573
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115905866
(2S)-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-methylbutan-1-ol
CID 79253278
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428
2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 175069255
2-iodo-7-methoxy-1-benzofuran
CID 147263066
3,3,3-trifluoro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63225887

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine (CID 104584510) is 3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine is COc1cccc2cc(C(C)NC3CC(OC)C3)oc12.
What is the InChIKey of 3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is YADAPSUBAAZMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10(17-12-8-13(9-12)18-2)15-7-11-5-4-6-14(19-3)16(11)20-15/h4-7,10,12-13,17H,8-9H2,1-3H3.
What are the key properties of 3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine?
3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 104584510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).