[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone

C18H20N2O — CID 114335708

IUPAC[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
SMILESCNC1CCCN(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H20N2O/c1-19-16-11-7-13-20(17-12-6-5-10-15(16)17)18(21)14-8-3-2-4-9-14/h2-6,8-10,12,16,19H,7,11,13H2,1H3
InChIKeyQPSQFOBNWULVFV-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.39
Rot. Bonds2

About [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone

[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone (PubChem CID 114335708) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
PubChem CID114335708
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
SMILESCNC1CCCN(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H20N2O/c1-19-16-11-7-13-20(17-12-6-5-10-15(16)17)18(21)14-8-3-2-4-9-14/h2-6,8-10,12,16,19H,7,11,13H2,1H3
InChIKeyQPSQFOBNWULVFV-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114335740
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335860
N-[4-(5-benzamido-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 70062128
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone
CID 114335766
1-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-propoxyethanone
CID 107937221
N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
CID 114336281
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 114335777
2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114336316
N-[4-[7-chloro-5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-N'-ethyl-N'-phenylacetohydrazide
CID 19608160
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone
CID 114335653
tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 79122225

Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone?
The IUPAC name of [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone (CID 114335708) is [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone.
What is the SMILES notation for [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone?
The canonical SMILES for [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone is CNC1CCCN(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone?
The InChIKey is QPSQFOBNWULVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-19-16-11-7-13-20(17-12-6-5-10-15(16)17)18(21)14-8-3-2-4-9-14/h2-6,8-10,12,16,19H,7,11,13H2,1H3.
What are the key properties of [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone?
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone has a molecular weight of 280.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone is sourced from PubChem (CID 114335708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).