5-(methoxymethyl)-11H-benzo[b][1]benzazepine

C16H15NO — CID 143075196

IUPAC5-(methoxymethyl)-11H-benzo[b][1]benzazepine
SMILESCOCC1=Cc2ccccc2Nc2ccccc21
InChIInChI=1S/C16H15NO/c1-18-11-13-10-12-6-2-4-8-15(12)17-16-9-5-3-7-14(13)16/h2-10,17H,11H2,1H3
InChIKeyXKSBTYSTSVPUPC-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.93
Rot. Bonds2

About 5-(methoxymethyl)-11H-benzo[b][1]benzazepine

5-(methoxymethyl)-11H-benzo[b][1]benzazepine (PubChem CID 143075196) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(methoxymethyl)-11H-benzo[b][1]benzazepine.

Molecular Properties

Compound Name5-(methoxymethyl)-11H-benzo[b][1]benzazepine
PubChem CID143075196
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name5-(methoxymethyl)-11H-benzo[b][1]benzazepine
SMILESCOCC1=Cc2ccccc2Nc2ccccc21
InChIInChI=1S/C16H15NO/c1-18-11-13-10-12-6-2-4-8-15(12)17-16-9-5-3-7-14(13)16/h2-10,17H,11H2,1H3
InChIKeyXKSBTYSTSVPUPC-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine
CID 143147931
1-(11H-benzo[b][1]benzazepin-5-yl)-2-chloroethanone
CID 163198651
5-(1H-pyrrol-2-yl)-11H-benzo[b][1]benzazepine
CID 11777285
1-fluoro-4-[2-(methoxymethyl)phenyl]benzene
CID 59165552
3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 14905238
4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene
CID 10332163
4b-methyl-5H-indeno[1,2-b]indole
CID 151328364
4-O-ethyl 2-O-methyl 1H-1-benzazepine-2,4-dicarboxylate
CID 16751877
1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene
CID 139783767
CID 123655745
CID 123655745
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
7-azabicyclo[4.2.0]octa-1,3,5-triene-8-thione
CID 54163688

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-11H-benzo[b][1]benzazepine?
The IUPAC name of 5-(methoxymethyl)-11H-benzo[b][1]benzazepine (CID 143075196) is 5-(methoxymethyl)-11H-benzo[b][1]benzazepine.
What is the SMILES notation for 5-(methoxymethyl)-11H-benzo[b][1]benzazepine?
The canonical SMILES for 5-(methoxymethyl)-11H-benzo[b][1]benzazepine is COCC1=Cc2ccccc2Nc2ccccc21.
What is the InChIKey of 5-(methoxymethyl)-11H-benzo[b][1]benzazepine?
The InChIKey is XKSBTYSTSVPUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-18-11-13-10-12-6-2-4-8-15(12)17-16-9-5-3-7-14(13)16/h2-10,17H,11H2,1H3.
What are the key properties of 5-(methoxymethyl)-11H-benzo[b][1]benzazepine?
5-(methoxymethyl)-11H-benzo[b][1]benzazepine has a molecular weight of 237.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-11H-benzo[b][1]benzazepine is sourced from PubChem (CID 143075196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).