4-chloro-2-methyl-1,3-dihydro-2-benzazepine

C11H12ClN — CID 101083787

IUPAC4-chloro-2-methyl-1,3-dihydro-2-benzazepine
SMILESCN1CC(Cl)=Cc2ccccc2C1
InChIInChI=1S/C11H12ClN/c1-13-7-10-5-3-2-4-9(10)6-11(12)8-13/h2-6H,7-8H2,1H3
InChIKeyVJTMPRRNILKUER-UHFFFAOYSA-N
MW193.68 g/mol
LogP2.71
Rot. Bonds

About 4-chloro-2-methyl-1,3-dihydro-2-benzazepine

4-chloro-2-methyl-1,3-dihydro-2-benzazepine (PubChem CID 101083787) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 4-chloro-2-methyl-1,3-dihydro-2-benzazepine.

Molecular Properties

Compound Name4-chloro-2-methyl-1,3-dihydro-2-benzazepine
PubChem CID101083787
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name4-chloro-2-methyl-1,3-dihydro-2-benzazepine
SMILESCN1CC(Cl)=Cc2ccccc2C1
InChIInChI=1S/C11H12ClN/c1-13-7-10-5-3-2-4-9(10)6-11(12)8-13/h2-6H,7-8H2,1H3
InChIKeyVJTMPRRNILKUER-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-hydroxy-1H-isoquinoline-2-carbaldehyde
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6-methyl-11H-pyrrolo[1,2-b][2]benzazepine
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1,3-dihydro-2-benzazepine?
The IUPAC name of 4-chloro-2-methyl-1,3-dihydro-2-benzazepine (CID 101083787) is 4-chloro-2-methyl-1,3-dihydro-2-benzazepine.
What is the SMILES notation for 4-chloro-2-methyl-1,3-dihydro-2-benzazepine?
The canonical SMILES for 4-chloro-2-methyl-1,3-dihydro-2-benzazepine is CN1CC(Cl)=Cc2ccccc2C1.
What is the InChIKey of 4-chloro-2-methyl-1,3-dihydro-2-benzazepine?
The InChIKey is VJTMPRRNILKUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-13-7-10-5-3-2-4-9(10)6-11(12)8-13/h2-6H,7-8H2,1H3.
What are the key properties of 4-chloro-2-methyl-1,3-dihydro-2-benzazepine?
4-chloro-2-methyl-1,3-dihydro-2-benzazepine has a molecular weight of 193.68 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1,3-dihydro-2-benzazepine is sourced from PubChem (CID 101083787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).