8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine

C13H18N2O — CID 167283025

IUPAC8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine
SMILESCNC1=CCC(C)c2ccc(OC)cc2N1
InChIInChI=1S/C13H18N2O/c1-9-4-7-13(14-2)15-12-8-10(16-3)5-6-11(9)12/h5-9,14-15H,4H2,1-3H3
InChIKeyQBJZKYZJILIOAX-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.68
Rot. Bonds2

About 8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine

8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine (PubChem CID 167283025) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine.

Molecular Properties

Compound Name8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine
PubChem CID167283025
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine
SMILESCNC1=CCC(C)c2ccc(OC)cc2N1
InChIInChI=1S/C13H18N2O/c1-9-4-7-13(14-2)15-12-8-10(16-3)5-6-11(9)12/h5-9,14-15H,4H2,1-3H3
InChIKeyQBJZKYZJILIOAX-UHFFFAOYSA-N
XLogP2.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine?
The IUPAC name of 8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine (CID 167283025) is 8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine.
What is the SMILES notation for 8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine?
The canonical SMILES for 8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine is CNC1=CCC(C)c2ccc(OC)cc2N1.
What is the InChIKey of 8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine?
The InChIKey is QBJZKYZJILIOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-4-7-13(14-2)15-12-8-10(16-3)5-6-11(9)12/h5-9,14-15H,4H2,1-3H3.
What are the key properties of 8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine?
8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine is sourced from PubChem (CID 167283025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).