1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone

C16H24N2O2 — CID 82626413

IUPAC1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
SMILESCOc1ccc(C)c2c1N(C(C)=O)CCCC2CCN
InChIInChI=1S/C16H24N2O2/c1-11-6-7-14(20-3)16-15(11)13(8-9-17)5-4-10-18(16)12(2)19/h6-7,13H,4-5,8-10,17H2,1-3H3
InChIKeySZJBOXRUHAGEJH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.58
Rot. Bonds3

About 1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone

1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone (PubChem CID 82626413) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
PubChem CID82626413
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
SMILESCOc1ccc(C)c2c1N(C(C)=O)CCCC2CCN
InChIInChI=1S/C16H24N2O2/c1-11-6-7-14(20-3)16-15(11)13(8-9-17)5-4-10-18(16)12(2)19/h6-7,13H,4-5,8-10,17H2,1-3H3
InChIKeySZJBOXRUHAGEJH-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone with MolForge

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Related Compounds

2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine
CID 82624753
1-[5-(2-aminoethyl)-9-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 82625126
1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 82626412
2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 82076847
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 114802000
2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid
CID 84639173
[3-(2-aminoethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 120727504
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 120728314
[4-(2-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 79732941
[(4S)-8-bromo-4-(2-hydroxyethyl)-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 167601445

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone?
The IUPAC name of 1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone (CID 82626413) is 1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone?
The canonical SMILES for 1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone is COc1ccc(C)c2c1N(C(C)=O)CCCC2CCN.
What is the InChIKey of 1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone?
The InChIKey is SZJBOXRUHAGEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-6-7-14(20-3)16-15(11)13(8-9-17)5-4-10-18(16)12(2)19/h6-7,13H,4-5,8-10,17H2,1-3H3.
What are the key properties of 1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone?
1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone is sourced from PubChem (CID 82626413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).