6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C16H17N — CID 142671195

IUPAC6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESc1ccc(-c2cccc3c2CCNCC3)cc1
InChIInChI=1S/C16H17N/c1-2-5-13(6-3-1)15-8-4-7-14-9-11-17-12-10-16(14)15/h1-8,17H,9-12H2
InChIKeyOVNQGFFYXLTULJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.04
Rot. Bonds1

About 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 142671195) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID142671195
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESc1ccc(-c2cccc3c2CCNCC3)cc1
InChIInChI=1S/C16H17N/c1-2-5-13(6-3-1)15-8-4-7-14-9-11-17-12-10-16(14)15/h1-8,17H,9-12H2
InChIKeyOVNQGFFYXLTULJ-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 142671195) is 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine is c1ccc(-c2cccc3c2CCNCC3)cc1.
What is the InChIKey of 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is OVNQGFFYXLTULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-5-13(6-3-1)15-8-4-7-14-9-11-17-12-10-16(14)15/h1-8,17H,9-12H2.
What are the key properties of 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 223.32 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 142671195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).