7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine

C14H17NO2 — CID 164872530

IUPAC7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine
SMILESCOc1ccc2oc3c(c2c1)CCCN(C)C3
InChIInChI=1S/C14H17NO2/c1-15-7-3-4-11-12-8-10(16-2)5-6-13(12)17-14(11)9-15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeySAJNGAPPPOCLTB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.82
Rot. Bonds1

About 7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine

7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine (PubChem CID 164872530) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine.

Molecular Properties

Compound Name7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine
PubChem CID164872530
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine
SMILESCOc1ccc2oc3c(c2c1)CCCN(C)C3
InChIInChI=1S/C14H17NO2/c1-15-7-3-4-11-12-8-10(16-2)5-6-13(12)17-14(11)9-15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeySAJNGAPPPOCLTB-UHFFFAOYSA-N
XLogP2.82
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
CID 164872528
8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one
CID 67965470
4-methoxy-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 24899449
N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine
CID 168943694
1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 86913342
6,7,8,9-tetrahydrodibenzofuran-2-yl 4-methylbenzoate
CID 828334
8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 12629907
5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole
CID 112797307
N,N-dimethyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46652492
N-methyl-N-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 78843878
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18206466

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine?
The IUPAC name of 7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine (CID 164872530) is 7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine.
What is the SMILES notation for 7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine?
The canonical SMILES for 7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine is COc1ccc2oc3c(c2c1)CCCN(C)C3.
What is the InChIKey of 7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine?
The InChIKey is SAJNGAPPPOCLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-15-7-3-4-11-12-8-10(16-2)5-6-13(12)17-14(11)9-15/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine?
7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine has a molecular weight of 231.30 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine is sourced from PubChem (CID 164872530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).