5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine

C23H23N — CID 101460622

IUPAC5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCC1CCN(c2ccc(-c3ccccc3)cc2)Cc2ccccc21
InChIInChI=1S/C23H23N/c1-18-15-16-24(17-21-9-5-6-10-23(18)21)22-13-11-20(12-14-22)19-7-3-2-4-8-19/h2-14,18H,15-17H2,1H3
InChIKeySEULPCWUWXXPAI-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.87
Rot. Bonds2

About 5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine

5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 101460622) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID101460622
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCC1CCN(c2ccc(-c3ccccc3)cc2)Cc2ccccc21
InChIInChI=1S/C23H23N/c1-18-15-16-24(17-21-9-5-6-10-23(18)21)22-13-11-20(12-14-22)19-7-3-2-4-8-19/h2-14,18H,15-17H2,1H3
InChIKeySEULPCWUWXXPAI-UHFFFAOYSA-N
XLogP5.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine (CID 101460622) is 5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine is CC1CCN(c2ccc(-c3ccccc3)cc2)Cc2ccccc21.
What is the InChIKey of 5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is SEULPCWUWXXPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-18-15-16-24(17-21-9-5-6-10-23(18)21)22-13-11-20(12-14-22)19-7-3-2-4-8-19/h2-14,18H,15-17H2,1H3.
What are the key properties of 5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine?
5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 313.44 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 101460622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).