2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine

C23H25NO — CID 59572926

IUPAC2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine
SMILESCc1cc(C)c(N2c3ccc(C)cc3CCc3cc(C)oc32)c(C)c1
InChIInChI=1S/C23H25NO/c1-14-6-9-21-19(12-14)7-8-20-13-18(5)25-23(20)24(21)22-16(3)10-15(2)11-17(22)4/h6,9-13H,7-8H2,1-5H3
InChIKeyHMWFVOITFNJCAP-UHFFFAOYSA-N
MW331.46 g/mol
LogP6.39
Rot. Bonds1

About 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine

2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine (PubChem CID 59572926) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine.

Molecular Properties

Compound Name2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine
PubChem CID59572926
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine
SMILESCc1cc(C)c(N2c3ccc(C)cc3CCc3cc(C)oc32)c(C)c1
InChIInChI=1S/C23H25NO/c1-14-6-9-21-19(12-14)7-8-20-13-18(5)25-23(20)24(21)22-16(3)10-15(2)11-17(22)4/h6,9-13H,7-8H2,1-5H3
InChIKeyHMWFVOITFNJCAP-UHFFFAOYSA-N
XLogP6.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine?
The IUPAC name of 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine (CID 59572926) is 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine.
What is the SMILES notation for 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine?
The canonical SMILES for 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine is Cc1cc(C)c(N2c3ccc(C)cc3CCc3cc(C)oc32)c(C)c1.
What is the InChIKey of 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine?
The InChIKey is HMWFVOITFNJCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-14-6-9-21-19(12-14)7-8-20-13-18(5)25-23(20)24(21)22-16(3)10-15(2)11-17(22)4/h6,9-13H,7-8H2,1-5H3.
What are the key properties of 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine?
2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine has a molecular weight of 331.46 g/mol, XLogP of 6.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine is sourced from PubChem (CID 59572926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).