6-(methoxymethyl)-11H-benzo[c][1]benzazepine

C16H15NO — CID 175674644

IUPAC6-(methoxymethyl)-11H-benzo[c][1]benzazepine
SMILESCOCC1=Nc2ccccc2Cc2ccccc21
InChIInChI=1S/C16H15NO/c1-18-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)17-16/h2-9H,10-11H2,1H3
InChIKeyPGQTYMMHXQALJC-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.36
Rot. Bonds2

About 6-(methoxymethyl)-11H-benzo[c][1]benzazepine

6-(methoxymethyl)-11H-benzo[c][1]benzazepine (PubChem CID 175674644) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-(methoxymethyl)-11H-benzo[c][1]benzazepine.

Molecular Properties

Compound Name6-(methoxymethyl)-11H-benzo[c][1]benzazepine
PubChem CID175674644
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name6-(methoxymethyl)-11H-benzo[c][1]benzazepine
SMILESCOCC1=Nc2ccccc2Cc2ccccc21
InChIInChI=1S/C16H15NO/c1-18-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)17-16/h2-9H,10-11H2,1H3
InChIKeyPGQTYMMHXQALJC-UHFFFAOYSA-N
XLogP3.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2,2,2-trifluoroacetamide
CID 11174571
ethane;9H-fluorene;methane;methoxyethane;propane
CID 159155851
N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine
CID 21393411
ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
CID 161039230
5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine
CID 142992192
azane;hexakis(9H-fluorene)
CID 158472914
cadmium;9H-fluorene
CID 175337736
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
bicyclo[4.1.0]hepta-1,3,5-triene;methoxymethanol
CID 174438121
2-fluoro-3H-indole
CID 174790270
CID 20813056
CID 20813056

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-11H-benzo[c][1]benzazepine?
The IUPAC name of 6-(methoxymethyl)-11H-benzo[c][1]benzazepine (CID 175674644) is 6-(methoxymethyl)-11H-benzo[c][1]benzazepine.
What is the SMILES notation for 6-(methoxymethyl)-11H-benzo[c][1]benzazepine?
The canonical SMILES for 6-(methoxymethyl)-11H-benzo[c][1]benzazepine is COCC1=Nc2ccccc2Cc2ccccc21.
What is the InChIKey of 6-(methoxymethyl)-11H-benzo[c][1]benzazepine?
The InChIKey is PGQTYMMHXQALJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-18-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)17-16/h2-9H,10-11H2,1H3.
What are the key properties of 6-(methoxymethyl)-11H-benzo[c][1]benzazepine?
6-(methoxymethyl)-11H-benzo[c][1]benzazepine has a molecular weight of 237.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-11H-benzo[c][1]benzazepine is sourced from PubChem (CID 175674644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).