8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride

C11H16ClNO — CID 71432358

IUPAC8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
SMILESCOc1ccc2c(c1)NCCCC2.Cl
InChIInChI=1S/C11H15NO.ClH/c1-13-10-6-5-9-4-2-3-7-12-11(9)8-10;/h5-6,8,12H,2-4,7H2,1H3;1H
InChIKeyKOAFDAMJTMINMX-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.87
Rot. Bonds1

About 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride

8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride (PubChem CID 71432358) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride.

Molecular Properties

Compound Name8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
PubChem CID71432358
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
SMILESCOc1ccc2c(c1)NCCCC2.Cl
InChIInChI=1S/C11H15NO.ClH/c1-13-10-6-5-9-4-2-3-7-12-11(9)8-10;/h5-6,8,12H,2-4,7H2,1H3;1H
InChIKeyKOAFDAMJTMINMX-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride?
The IUPAC name of 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride (CID 71432358) is 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride.
What is the SMILES notation for 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride?
The canonical SMILES for 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride is COc1ccc2c(c1)NCCCC2.Cl.
What is the InChIKey of 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride?
The InChIKey is KOAFDAMJTMINMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-13-10-6-5-9-4-2-3-7-12-11(9)8-10;/h5-6,8,12H,2-4,7H2,1H3;1H.
What are the key properties of 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride?
8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride is sourced from PubChem (CID 71432358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).