1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine

C16H21NO3 — CID 114731441

IUPAC1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)C1(OC)CCOCC1
InChIInChI=1S/C16H21NO3/c1-17-15(16(18-2)7-9-19-10-8-16)14-11-12-5-3-4-6-13(12)20-14/h3-6,11,15,17H,7-10H2,1-2H3
InChIKeyAINUKXKAGPLPMX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.89
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine

1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine (PubChem CID 114731441) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
PubChem CID114731441
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)C1(OC)CCOCC1
InChIInChI=1S/C16H21NO3/c1-17-15(16(18-2)7-9-19-10-8-16)14-11-12-5-3-4-6-13(12)20-14/h3-6,11,15,17H,7-10H2,1-2H3
InChIKeyAINUKXKAGPLPMX-UHFFFAOYSA-N
XLogP2.89
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine 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-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine
CID 114731424
1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731419
1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol
CID 114727316
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116764616
1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 116764677
(4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731435
1-(1-methoxycyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104611046
1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903386
1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 106680980
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 116764818
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine (CID 114731441) is 1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine is CNC(c1cc2ccccc2o1)C1(OC)CCOCC1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The InChIKey is AINUKXKAGPLPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17-15(16(18-2)7-9-19-10-8-16)14-11-12-5-3-4-6-13(12)20-14/h3-6,11,15,17H,7-10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 114731441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).