1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone

C16H24N2O2 — CID 82626412

IUPAC1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
SMILESCCOc1ccc2c(c1)C(CCN)CCCN2C(C)=O
InChIInChI=1S/C16H24N2O2/c1-3-20-14-6-7-16-15(11-14)13(8-9-17)5-4-10-18(16)12(2)19/h6-7,11,13H,3-5,8-10,17H2,1-2H3
InChIKeySUEOMUAWSYZUOA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.66
Rot. Bonds4

About 1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone

1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone (PubChem CID 82626412) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
PubChem CID82626412
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
SMILESCCOc1ccc2c(c1)C(CCN)CCCN2C(C)=O
InChIInChI=1S/C16H24N2O2/c1-3-20-14-6-7-16-15(11-14)13(8-9-17)5-4-10-18(16)12(2)19/h6-7,11,13H,3-5,8-10,17H2,1-2H3
InChIKeySUEOMUAWSYZUOA-UHFFFAOYSA-N
XLogP2.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 142306751
1-[5-(2-aminoethyl)-9-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 82625126
2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276688
1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 82624457
1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 82626413
cyclopropyl-(4-ethoxy-2-ethylphenyl)methanone
CID 82267347
ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate
CID 123208013
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 63235471
2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid
CID 82626499
1-(4-ethoxy-2-fluorophenyl)piperidin-3-amine
CID 65202172
N-[4-[5-(2-amino-2-oxoethyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-ethoxyphenyl]-2-chlorobenzamide
CID 19795893
3-[5-ethoxy-1-[3-(2-phenylpropan-2-ylamino)propanoyl]-2,3-dihydroindol-3-yl]propanoic acid
CID 70824243

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone?
The IUPAC name of 1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone (CID 82626412) is 1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone?
The canonical SMILES for 1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone is CCOc1ccc2c(c1)C(CCN)CCCN2C(C)=O.
What is the InChIKey of 1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone?
The InChIKey is SUEOMUAWSYZUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-14-6-7-16-15(11-14)13(8-9-17)5-4-10-18(16)12(2)19/h6-7,11,13H,3-5,8-10,17H2,1-2H3.
What are the key properties of 1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone?
1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone is sourced from PubChem (CID 82626412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).