7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride

C15H22ClNO — CID 23331338

IUPAC7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
SMILESC=CCN1CCc2ccc(OC)cc2CC1C.Cl
InChIInChI=1S/C15H21NO.ClH/c1-4-8-16-9-7-13-5-6-15(17-3)11-14(13)10-12(16)2;/h4-6,11-12H,1,7-10H2,2-3H3;1H
InChIKeySSLGWSPUDANMBQ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.09
Rot. Bonds3

About 7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride

7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride (PubChem CID 23331338) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride.

Molecular Properties

Compound Name7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
PubChem CID23331338
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
SMILESC=CCN1CCc2ccc(OC)cc2CC1C.Cl
InChIInChI=1S/C15H21NO.ClH/c1-4-8-16-9-7-13-5-6-15(17-3)11-14(13)10-12(16)2;/h4-6,11-12H,1,7-10H2,2-3H3;1H
InChIKeySSLGWSPUDANMBQ-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The IUPAC name of 7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride (CID 23331338) is 7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride.
What is the SMILES notation for 7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The canonical SMILES for 7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride is C=CCN1CCc2ccc(OC)cc2CC1C.Cl.
What is the InChIKey of 7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The InChIKey is SSLGWSPUDANMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.ClH/c1-4-8-16-9-7-13-5-6-15(17-3)11-14(13)10-12(16)2;/h4-6,11-12H,1,7-10H2,2-3H3;1H.
What are the key properties of 7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride has a molecular weight of 267.80 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride is sourced from PubChem (CID 23331338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).