6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane

C22H29NO2 — CID 164597946

IUPAC6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane
SMILESCC.COc1ccc2c(c1)CN(C1CCC1)Cc1cc(OC)ccc1-2
InChIInChI=1S/C20H23NO2.C2H6/c1-22-17-6-8-19-14(10-17)12-21(16-4-3-5-16)13-15-11-18(23-2)7-9-20(15)19;1-2/h6-11,16H,3-5,12-13H2,1-2H3;1-2H3
InChIKeyQKBPWQHCYGIPLD-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.27
Rot. Bonds3

About 6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane

6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane (PubChem CID 164597946) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane.

Molecular Properties

Compound Name6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane
PubChem CID164597946
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane
SMILESCC.COc1ccc2c(c1)CN(C1CCC1)Cc1cc(OC)ccc1-2
InChIInChI=1S/C20H23NO2.C2H6/c1-22-17-6-8-19-14(10-17)12-21(16-4-3-5-16)13-15-11-18(23-2)7-9-20(15)19;1-2/h6-11,16H,3-5,12-13H2,1-2H3;1-2H3
InChIKeyQKBPWQHCYGIPLD-UHFFFAOYSA-N
XLogP5.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane with MolForge

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Related Compounds

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CID 91464884
2-(1-benzhydrylpiperidin-4-yl)-5-methoxy-1,3-dihydroisoindole
CID 164880699
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9-methoxy-4,4a,5,11-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazepin-2-one
CID 25118820
1-cyclobutyl-3,9-dimethoxy-6,7-dihydro-5H-benzo[d][2]benzazepine
CID 172845443
2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine
CID 67486191
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CID 15521808
1-(2,7-dimethoxy-9H-fluoren-9-yl)pyrrolidine
CID 71339308
1-(4-cyclopentylpiperazin-1-yl)ethanone;7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 143540790
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
(5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene
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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane?
The IUPAC name of 6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane (CID 164597946) is 6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane.
What is the SMILES notation for 6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane?
The canonical SMILES for 6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane is CC.COc1ccc2c(c1)CN(C1CCC1)Cc1cc(OC)ccc1-2.
What is the InChIKey of 6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane?
The InChIKey is QKBPWQHCYGIPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.C2H6/c1-22-17-6-8-19-14(10-17)12-21(16-4-3-5-16)13-15-11-18(23-2)7-9-20(15)19;1-2/h6-11,16H,3-5,12-13H2,1-2H3;1-2H3.
What are the key properties of 6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane?
6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane has a molecular weight of 339.48 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane is sourced from PubChem (CID 164597946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).