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

C10H14ClNO2 — CID 112756370

IUPAC8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
SMILESCOc1ccc2c(c1)OCCNC2.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-12-9-3-2-8-7-11-4-5-13-10(8)6-9;/h2-3,6,11H,4-5,7H2,1H3;1H
InChIKeyRXWSKQRJUNJKOY-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.60
Rot. Bonds1

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

8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride (PubChem CID 112756370) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride.

Molecular Properties

Compound Name8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
PubChem CID112756370
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
SMILESCOc1ccc2c(c1)OCCNC2.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-12-9-3-2-8-7-11-4-5-13-10(8)6-9;/h2-3,6,11H,4-5,7H2,1H3;1H
InChIKeyRXWSKQRJUNJKOY-UHFFFAOYSA-N
XLogP1.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride?
The IUPAC name of 8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride (CID 112756370) is 8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride.
What is the SMILES notation for 8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride?
The canonical SMILES for 8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride is COc1ccc2c(c1)OCCNC2.Cl.
What is the InChIKey of 8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride?
The InChIKey is RXWSKQRJUNJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-12-9-3-2-8-7-11-4-5-13-10(8)6-9;/h2-3,6,11H,4-5,7H2,1H3;1H.
What are the key properties of 8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride?
8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride is sourced from PubChem (CID 112756370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).