1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone

C14H20N2O — CID 114335777

IUPAC1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
SMILESCCNC1CCCN(C(C)=O)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-3-15-13-8-6-10-16(11(2)17)14-9-5-4-7-12(13)14/h4-5,7,9,13,15H,3,6,8,10H2,1-2H3
InChIKeyOBEBNHRNVCVXJS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.48
Rot. Bonds2

About 1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone

1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone (PubChem CID 114335777) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
PubChem CID114335777
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
SMILESCCNC1CCCN(C(C)=O)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-3-15-13-8-6-10-16(11(2)17)14-9-5-4-7-12(13)14/h4-5,7,9,13,15H,3,6,8,10H2,1-2H3
InChIKeyOBEBNHRNVCVXJS-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2,2-dimethylbutan-1-one
CID 114335814
N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335871
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-3-methylpentan-1-one
CID 114873303
1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336346
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335860
4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol
CID 114336423
1-(cyclopropylmethylsulfonyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335958
3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea
CID 166185788
[4-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81316493
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336368
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708
1-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-propoxyethanone
CID 107937221

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone?
The IUPAC name of 1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone (CID 114335777) is 1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone.
What is the SMILES notation for 1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone?
The canonical SMILES for 1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone is CCNC1CCCN(C(C)=O)c2ccccc21.
What is the InChIKey of 1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone?
The InChIKey is OBEBNHRNVCVXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-15-13-8-6-10-16(11(2)17)14-9-5-4-7-12(13)14/h4-5,7,9,13,15H,3,6,8,10H2,1-2H3.
What are the key properties of 1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone?
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone has a molecular weight of 232.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone is sourced from PubChem (CID 114335777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).