2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone

C18H20N2O — CID 63154719

IUPAC2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
SMILESNc1ccccc1CC(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C18H20N2O/c19-17-10-4-3-7-15(17)12-18(21)20-11-5-9-14-6-1-2-8-16(14)13-20/h1-4,6-8,10H,5,9,11-13,19H2
InChIKeySIMGPCSMAPASDS-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.79
Rot. Bonds2

About 2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone

2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (PubChem CID 63154719) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
PubChem CID63154719
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
SMILESNc1ccccc1CC(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C18H20N2O/c19-17-10-4-3-7-15(17)12-18(21)20-11-5-9-14-6-1-2-8-16(14)13-20/h1-4,6-8,10H,5,9,11-13,19H2
InChIKeySIMGPCSMAPASDS-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.79
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-aminophenyl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204617
ethane;1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 143511825
2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63155036
2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
CID 63153884
N-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 115616978
(2-amino-6-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63658830
2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 61428012
2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57050703
4-(propan-2-ylamino)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-one
CID 63153399
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79189038
3-(2-aminophenyl)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 120609319

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The IUPAC name of 2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (CID 63154719) is 2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone.
What is the SMILES notation for 2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The canonical SMILES for 2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone is Nc1ccccc1CC(=O)N1CCCc2ccccc2C1.
What is the InChIKey of 2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The InChIKey is SIMGPCSMAPASDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-17-10-4-3-7-15(17)12-18(21)20-11-5-9-14-6-1-2-8-16(14)13-20/h1-4,6-8,10H,5,9,11-13,19H2.
What are the key properties of 2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone is sourced from PubChem (CID 63154719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).