6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride

C11H15Cl2N — CID 10220250

IUPAC6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
SMILESCN1CCc2cccc(Cl)c2CC1.Cl
InChIInChI=1S/C11H14ClN.ClH/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13;/h2-4H,5-8H2,1H3;1H
InChIKeyJKQKVNMNAIFCFS-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.79
Rot. Bonds

About 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride

6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride (PubChem CID 10220250) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride.

Molecular Properties

Compound Name6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
PubChem CID10220250
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
SMILESCN1CCc2cccc(Cl)c2CC1.Cl
InChIInChI=1S/C11H14ClN.ClH/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13;/h2-4H,5-8H2,1H3;1H
InChIKeyJKQKVNMNAIFCFS-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The IUPAC name of 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride (CID 10220250) is 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride.
What is the SMILES notation for 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The canonical SMILES for 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride is CN1CCc2cccc(Cl)c2CC1.Cl.
What is the InChIKey of 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The InChIKey is JKQKVNMNAIFCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN.ClH/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13;/h2-4H,5-8H2,1H3;1H.
What are the key properties of 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride has a molecular weight of 232.15 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride is sourced from PubChem (CID 10220250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).