8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride

C16H13Cl2N — CID 13271758

IUPAC8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride
SMILESCl.Clc1ccc2c(c1)C(c1ccccc1)=NCC=C2
InChIInChI=1S/C16H12ClN.ClH/c17-14-9-8-12-7-4-10-18-16(15(12)11-14)13-5-2-1-3-6-13;/h1-9,11H,10H2;1H
InChIKeyDKTIEKJEPYAWCB-UHFFFAOYSA-N
MW290.19 g/mol
LogP4.63
Rot. Bonds1

About 8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride

8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride (PubChem CID 13271758) has the molecular formula C16H13Cl2N and a molecular weight of 290.19 g/mol. Its IUPAC name is 8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride.

Molecular Properties

Compound Name8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride
PubChem CID13271758
Molecular FormulaC16H13Cl2N
Molecular Weight290.19 g/mol
Exact Mass289.04
IUPAC Name8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride
SMILESCl.Clc1ccc2c(c1)C(c1ccccc1)=NCC=C2
InChIInChI=1S/C16H12ClN.ClH/c17-14-9-8-12-7-4-10-18-16(15(12)11-14)13-5-2-1-3-6-13;/h1-9,11H,10H2;1H
InChIKeyDKTIEKJEPYAWCB-UHFFFAOYSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride?
The IUPAC name of 8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride (CID 13271758) is 8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride.
What is the SMILES notation for 8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride?
The canonical SMILES for 8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride is Cl.Clc1ccc2c(c1)C(c1ccccc1)=NCC=C2.
What is the InChIKey of 8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride?
The InChIKey is DKTIEKJEPYAWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN.ClH/c17-14-9-8-12-7-4-10-18-16(15(12)11-14)13-5-2-1-3-6-13;/h1-9,11H,10H2;1H.
What are the key properties of 8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride?
8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride has a molecular weight of 290.19 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride is sourced from PubChem (CID 13271758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).