10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine

C20H19NO2 — CID 59572816

IUPAC10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine
SMILESCOc1ccccc1N1c2ccccc2CCc2cc(C)oc21
InChIInChI=1S/C20H19NO2/c1-14-13-16-12-11-15-7-3-4-8-17(15)21(20(16)23-14)18-9-5-6-10-19(18)22-2/h3-10,13H,11-12H2,1-2H3
InChIKeyMUGQHYWGDIAEFG-UHFFFAOYSA-N
MW305.38 g/mol
LogP5.17
Rot. Bonds2

About 10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine

10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine (PubChem CID 59572816) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine.

Molecular Properties

Compound Name10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine
PubChem CID59572816
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine
SMILESCOc1ccccc1N1c2ccccc2CCc2cc(C)oc21
InChIInChI=1S/C20H19NO2/c1-14-13-16-12-11-15-7-3-4-8-17(15)21(20(16)23-14)18-9-5-6-10-19(18)22-2/h3-10,13H,11-12H2,1-2H3
InChIKeyMUGQHYWGDIAEFG-UHFFFAOYSA-N
XLogP5.17
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine?
The IUPAC name of 10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine (CID 59572816) is 10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine.
What is the SMILES notation for 10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine?
The canonical SMILES for 10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine is COc1ccccc1N1c2ccccc2CCc2cc(C)oc21.
What is the InChIKey of 10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine?
The InChIKey is MUGQHYWGDIAEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14-13-16-12-11-15-7-3-4-8-17(15)21(20(16)23-14)18-9-5-6-10-19(18)22-2/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine?
10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine has a molecular weight of 305.38 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine is sourced from PubChem (CID 59572816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).