4-methyl-7H-benzo[d][2]benzazepine

C15H13N — CID 102223259

IUPAC4-methyl-7H-benzo[d][2]benzazepine
SMILESCc1cccc2c1C=NCc1ccccc1-2
InChIInChI=1S/C15H13N/c1-11-5-4-8-14-13-7-3-2-6-12(13)9-16-10-15(11)14/h2-8,10H,9H2,1H3
InChIKeyIJDPMIFRYSWJEL-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.59
Rot. Bonds

About 4-methyl-7H-benzo[d][2]benzazepine

4-methyl-7H-benzo[d][2]benzazepine (PubChem CID 102223259) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-methyl-7H-benzo[d][2]benzazepine.

Molecular Properties

Compound Name4-methyl-7H-benzo[d][2]benzazepine
PubChem CID102223259
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name4-methyl-7H-benzo[d][2]benzazepine
SMILESCc1cccc2c1C=NCc1ccccc1-2
InChIInChI=1S/C15H13N/c1-11-5-4-8-14-13-7-3-2-6-12(13)9-16-10-15(11)14/h2-8,10H,9H2,1H3
InChIKeyIJDPMIFRYSWJEL-UHFFFAOYSA-N
XLogP3.59
TPSA12.36 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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(2,3-dimethylphenyl)-2-methyl-1H-indene
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4-(2-methylphenyl)-2-phenyl-1H-indene
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2,4-bis(2-methylphenyl)-1H-indene
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5-methyl-3-phenyl-1H-2-benzazepine
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CID 22475994
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7H-benzo[d][2]benzazepine?
The IUPAC name of 4-methyl-7H-benzo[d][2]benzazepine (CID 102223259) is 4-methyl-7H-benzo[d][2]benzazepine.
What is the SMILES notation for 4-methyl-7H-benzo[d][2]benzazepine?
The canonical SMILES for 4-methyl-7H-benzo[d][2]benzazepine is Cc1cccc2c1C=NCc1ccccc1-2.
What is the InChIKey of 4-methyl-7H-benzo[d][2]benzazepine?
The InChIKey is IJDPMIFRYSWJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-11-5-4-8-14-13-7-3-2-6-12(13)9-16-10-15(11)14/h2-8,10H,9H2,1H3.
What are the key properties of 4-methyl-7H-benzo[d][2]benzazepine?
4-methyl-7H-benzo[d][2]benzazepine has a molecular weight of 207.28 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7H-benzo[d][2]benzazepine is sourced from PubChem (CID 102223259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).