8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine

C17H14ClNO — CID 13271768

IUPAC8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine
SMILESCOC1C=Cc2ccc(Cl)cc2C(c2ccccc2)=N1
InChIInChI=1S/C17H14ClNO/c1-20-16-10-8-12-7-9-14(18)11-15(12)17(19-16)13-5-3-2-4-6-13/h2-11,16H,1H3
InChIKeyJBZFQQBEFKBTBS-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.18
Rot. Bonds2

About 8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine

8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine (PubChem CID 13271768) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine.

Molecular Properties

Compound Name8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine
PubChem CID13271768
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine
SMILESCOC1C=Cc2ccc(Cl)cc2C(c2ccccc2)=N1
InChIInChI=1S/C17H14ClNO/c1-20-16-10-8-12-7-9-14(18)11-15(12)17(19-16)13-5-3-2-4-6-13/h2-11,16H,1H3
InChIKeyJBZFQQBEFKBTBS-UHFFFAOYSA-N
XLogP4.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 3067280
CID 3067280
CID 13271760
CID 13271760
CID 6511644
CID 6511644
CID 13556883
CID 13556883
CID 13616844
CID 13616844
CID 13271757
CID 13271757
CID 13271766
CID 13271766
CID 13271770
CID 13271770
CID 13556884
CID 13556884
CID 13616845
CID 13616845
CID 6328226
CID 6328226
CID 9570367
CID 9570367

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine?
The IUPAC name of 8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine (CID 13271768) is 8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine.
What is the SMILES notation for 8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine?
The canonical SMILES for 8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine is COC1C=Cc2ccc(Cl)cc2C(c2ccccc2)=N1.
What is the InChIKey of 8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine?
The InChIKey is JBZFQQBEFKBTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-20-16-10-8-12-7-9-14(18)11-15(12)17(19-16)13-5-3-2-4-6-13/h2-11,16H,1H3.
What are the key properties of 8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine?
8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine has a molecular weight of 283.76 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methoxy-1-phenyl-3H-2-benzazepine is sourced from PubChem (CID 13271768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).