2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one

C13H18N2O — CID 115030886

IUPAC2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one
SMILESCc1cccc2c1CCCN(CCN)C2=O
InChIInChI=1S/C13H18N2O/c1-10-4-2-5-12-11(10)6-3-8-15(9-7-14)13(12)16/h2,4-5H,3,6-9,14H2,1H3
InChIKeyIJHMEORXAOMMQC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.34
Rot. Bonds2

About 2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one

2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one (PubChem CID 115030886) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one
PubChem CID115030886
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one
SMILESCc1cccc2c1CCCN(CCN)C2=O
InChIInChI=1S/C13H18N2O/c1-10-4-2-5-12-11(10)6-3-8-15(9-7-14)13(12)16/h2,4-5H,3,6-9,14H2,1H3
InChIKeyIJHMEORXAOMMQC-UHFFFAOYSA-N
XLogP1.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82127421
2-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279835
2-(6-hydroxy-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)acetic acid
CID 115040649
2-(2-aminoethyl)-7-tert-butyl-3,4-dihydroisoquinolin-1-one
CID 82130739
1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
1-[(2,6-dimethylphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336772
2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide
CID 75485475
2-(2-sulfanylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526917
2-(5-aminohexyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525195
3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione
CID 91182909
2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one
CID 82487041
2-(3-bromopropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525155

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one?
The IUPAC name of 2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one (CID 115030886) is 2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one?
The canonical SMILES for 2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one is Cc1cccc2c1CCCN(CCN)C2=O.
What is the InChIKey of 2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one?
The InChIKey is IJHMEORXAOMMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-2-5-12-11(10)6-3-8-15(9-7-14)13(12)16/h2,4-5H,3,6-9,14H2,1H3.
What are the key properties of 2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one?
2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one is sourced from PubChem (CID 115030886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).