5-methylbenzo[d][1]benzazepine

C15H13N — CID 67174397

IUPAC5-methylbenzo[d][1]benzazepine
SMILESCN1C=Cc2ccccc2-c2ccccc21
InChIInChI=1S/C15H13N/c1-16-11-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-11H,1H3
InChIKeyQLMQXLRQXOKMON-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.77
Rot. Bonds

About 5-methylbenzo[d][1]benzazepine

5-methylbenzo[d][1]benzazepine (PubChem CID 67174397) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-methylbenzo[d][1]benzazepine.

Molecular Properties

Compound Name5-methylbenzo[d][1]benzazepine
PubChem CID67174397
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name5-methylbenzo[d][1]benzazepine
SMILESCN1C=Cc2ccccc2-c2ccccc21
InChIInChI=1S/C15H13N/c1-16-11-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-11H,1H3
InChIKeyQLMQXLRQXOKMON-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Mianserin
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Trimipramine
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Imipramine Hydrochloride
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CID 7567
Mianserin Hydrochloride
CID 68551
Proton sponge
CID 88675
N-Ethyl-N-benzylaniline
CID 7098
N,N-Dimethyl-4-[2-(2-methylphenyl)diazenyl]benzenamine
CID 19508
Depramine
CID 67534
4-Dimethylaminostilbene
CID 640024
N,N,N',N'-Tetramethylbenzidine
CID 9702

Frequently Asked Questions

What is the IUPAC name of 5-methylbenzo[d][1]benzazepine?
The IUPAC name of 5-methylbenzo[d][1]benzazepine (CID 67174397) is 5-methylbenzo[d][1]benzazepine.
What is the SMILES notation for 5-methylbenzo[d][1]benzazepine?
The canonical SMILES for 5-methylbenzo[d][1]benzazepine is CN1C=Cc2ccccc2-c2ccccc21.
What is the InChIKey of 5-methylbenzo[d][1]benzazepine?
The InChIKey is QLMQXLRQXOKMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-16-11-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-11H,1H3.
What are the key properties of 5-methylbenzo[d][1]benzazepine?
5-methylbenzo[d][1]benzazepine has a molecular weight of 207.28 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbenzo[d][1]benzazepine is sourced from PubChem (CID 67174397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).