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

C11H16ClNO — CID 21242906

IUPAC7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
SMILESCOc1ccc2c(c1)CCNCC2.Cl
InChIInChI=1S/C11H15NO.ClH/c1-13-11-3-2-9-4-6-12-7-5-10(9)8-11;/h2-3,8,12H,4-7H2,1H3;1H
InChIKeyQTFBRRKMULNOSW-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.81
Rot. Bonds1

About 7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride

7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride (PubChem CID 21242906) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride.

Molecular Properties

Compound Name7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
PubChem CID21242906
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
SMILESCOc1ccc2c(c1)CCNCC2.Cl
InChIInChI=1S/C11H15NO.ClH/c1-13-11-3-2-9-4-6-12-7-5-10(9)8-11;/h2-3,8,12H,4-7H2,1H3;1H
InChIKeyQTFBRRKMULNOSW-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The IUPAC name of 7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride (CID 21242906) is 7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride.
What is the SMILES notation for 7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The canonical SMILES for 7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride is COc1ccc2c(c1)CCNCC2.Cl.
What is the InChIKey of 7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The InChIKey is QTFBRRKMULNOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-13-11-3-2-9-4-6-12-7-5-10(9)8-11;/h2-3,8,12H,4-7H2,1H3;1H.
What are the key properties of 7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride is sourced from PubChem (CID 21242906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).