1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one

C17H18N2O — CID 43342817

IUPAC1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESNc1ccccc1CN1C(=O)CCCc2ccccc21
InChIInChI=1S/C17H18N2O/c18-15-9-3-1-7-14(15)12-19-16-10-4-2-6-13(16)8-5-11-17(19)20/h1-4,6-7,9-10H,5,8,11-12,18H2
InChIKeyKBZIXNQNLWBMKE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.14
Rot. Bonds2

About 1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one

1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 43342817) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID43342817
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESNc1ccccc1CN1C(=O)CCCc2ccccc21
InChIInChI=1S/C17H18N2O/c18-15-9-3-1-7-14(15)12-19-16-10-4-2-6-13(16)8-5-11-17(19)20/h1-4,6-7,9-10H,5,8,11-12,18H2
InChIKeyKBZIXNQNLWBMKE-UHFFFAOYSA-N
XLogP3.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]benzonitrile
CID 43165255
1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474972
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798
1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474985
4-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]benzonitrile
CID 43342829
1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 64769062
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050
1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43165250
1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43168521
1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 65481747
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 65326077
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43342832

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one (CID 43342817) is 1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one is Nc1ccccc1CN1C(=O)CCCc2ccccc21.
What is the InChIKey of 1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is KBZIXNQNLWBMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-15-9-3-1-7-14(15)12-19-16-10-4-2-6-13(16)8-5-11-17(19)20/h1-4,6-7,9-10H,5,8,11-12,18H2.
What are the key properties of 1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 43342817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).