10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine

C21H21NO2 — CID 59572452

IUPAC10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine
SMILESCOc1ccccc1N1c2ccc(C)cc2CCc2cc(C)oc21
InChIInChI=1S/C21H21NO2/c1-14-8-11-18-16(12-14)9-10-17-13-15(2)24-21(17)22(18)19-6-4-5-7-20(19)23-3/h4-8,11-13H,9-10H2,1-3H3
InChIKeyKQHHZZUOTIEIHI-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.47
Rot. Bonds2

About 10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine

10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine (PubChem CID 59572452) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine.

Molecular Properties

Compound Name10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine
PubChem CID59572452
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine
SMILESCOc1ccccc1N1c2ccc(C)cc2CCc2cc(C)oc21
InChIInChI=1S/C21H21NO2/c1-14-8-11-18-16(12-14)9-10-17-13-15(2)24-21(17)22(18)19-6-4-5-7-20(19)23-3/h4-8,11-13H,9-10H2,1-3H3
InChIKeyKQHHZZUOTIEIHI-UHFFFAOYSA-N
XLogP5.47
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine?
The IUPAC name of 10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine (CID 59572452) is 10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine.
What is the SMILES notation for 10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine?
The canonical SMILES for 10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine is COc1ccccc1N1c2ccc(C)cc2CCc2cc(C)oc21.
What is the InChIKey of 10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine?
The InChIKey is KQHHZZUOTIEIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14-8-11-18-16(12-14)9-10-17-13-15(2)24-21(17)22(18)19-6-4-5-7-20(19)23-3/h4-8,11-13H,9-10H2,1-3H3.
What are the key properties of 10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine?
10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine has a molecular weight of 319.40 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine is sourced from PubChem (CID 59572452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).