2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane

C15H20N2O2 — CID 82665855

IUPAC2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
SMILESCOc1cccc2cc(C3CNCCCN3C)oc12
InChIInChI=1S/C15H20N2O2/c1-17-8-4-7-16-10-12(17)14-9-11-5-3-6-13(18-2)15(11)19-14/h3,5-6,9,12,16H,4,7-8,10H2,1-2H3
InChIKeyJVSVURMSIHAOOT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.41
Rot. Bonds2

About 2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane

2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane (PubChem CID 82665855) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
PubChem CID82665855
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
SMILESCOc1cccc2cc(C3CNCCCN3C)oc12
InChIInChI=1S/C15H20N2O2/c1-17-8-4-7-16-10-12(17)14-9-11-5-3-6-13(18-2)15(11)19-14/h3,5-6,9,12,16H,4,7-8,10H2,1-2H3
InChIKeyJVSVURMSIHAOOT-UHFFFAOYSA-N
XLogP2.41
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane 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

2-(3,4-dimethoxyphenyl)-1-methyl-1,4-diazepane
CID 82623166
7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
CID 82622922
3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
CID 82622924
4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one
CID 13400182
2-(2-fluorophenyl)-1-methyl-1,4-diazepane
CID 82395310
1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine
CID 21258113
2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane
CID 53237372
2-iodo-7-methoxy-1-benzofuran
CID 147263066
[3-(7-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 53215498
N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-1-amine
CID 83007192
2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
CID 82083204
5-(3-fluoro-4-methoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959542

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane?
The IUPAC name of 2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane (CID 82665855) is 2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane.
What is the SMILES notation for 2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane?
The canonical SMILES for 2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane is COc1cccc2cc(C3CNCCCN3C)oc12.
What is the InChIKey of 2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane?
The InChIKey is JVSVURMSIHAOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-8-4-7-16-10-12(17)14-9-11-5-3-6-13(18-2)15(11)19-14/h3,5-6,9,12,16H,4,7-8,10H2,1-2H3.
What are the key properties of 2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane?
2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane has a molecular weight of 260.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane is sourced from PubChem (CID 82665855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).