7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride

C22H21Cl2N — CID 68856105

IUPAC7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
SMILESCl.Clc1ccc2c(c1-c1ccccc1-c1ccccc1)CCNCC2
InChIInChI=1S/C22H20ClN.ClH/c23-21-11-10-17-12-14-24-15-13-19(17)22(21)20-9-5-4-8-18(20)16-6-2-1-3-7-16;/h1-11,24H,12-15H2;1H
InChIKeyHTTSTUZDBRQYFL-UHFFFAOYSA-N
MW370.32 g/mol
LogP5.78
Rot. Bonds2

About 7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride

7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride (PubChem CID 68856105) has the molecular formula C22H21Cl2N and a molecular weight of 370.32 g/mol. Its IUPAC name is 7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride.

Molecular Properties

Compound Name7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
PubChem CID68856105
Molecular FormulaC22H21Cl2N
Molecular Weight370.32 g/mol
Exact Mass369.11
IUPAC Name7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
SMILESCl.Clc1ccc2c(c1-c1ccccc1-c1ccccc1)CCNCC2
InChIInChI=1S/C22H20ClN.ClH/c23-21-11-10-17-12-14-24-15-13-19(17)22(21)20-9-5-4-8-18(20)16-6-2-1-3-7-16;/h1-11,24H,12-15H2;1H
InChIKeyHTTSTUZDBRQYFL-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.32
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The IUPAC name of 7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride (CID 68856105) is 7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride.
What is the SMILES notation for 7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The canonical SMILES for 7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride is Cl.Clc1ccc2c(c1-c1ccccc1-c1ccccc1)CCNCC2.
What is the InChIKey of 7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The InChIKey is HTTSTUZDBRQYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN.ClH/c23-21-11-10-17-12-14-24-15-13-19(17)22(21)20-9-5-4-8-18(20)16-6-2-1-3-7-16;/h1-11,24H,12-15H2;1H.
What are the key properties of 7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride has a molecular weight of 370.32 g/mol, XLogP of 5.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride is sourced from PubChem (CID 68856105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).