8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine

C11H14ClN — CID 84720669

IUPAC8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC1CCc2ccc(Cl)cc2CN1
InChIInChI=1S/C11H14ClN/c1-8-2-3-9-4-5-11(12)6-10(9)7-13-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyHBVHISJVOBVLRV-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.76
Rot. Bonds

About 8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine

8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 84720669) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID84720669
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC1CCc2ccc(Cl)cc2CN1
InChIInChI=1S/C11H14ClN/c1-8-2-3-9-4-5-11(12)6-10(9)7-13-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyHBVHISJVOBVLRV-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 84720669) is 8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is CC1CCc2ccc(Cl)cc2CN1.
What is the InChIKey of 8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is HBVHISJVOBVLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-2-3-9-4-5-11(12)6-10(9)7-13-8/h4-6,8,13H,2-3,7H2,1H3.
What are the key properties of 8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 195.69 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 84720669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).