2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine

C13H20N2O — CID 118272628

IUPAC2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine
SMILESCOCCN1CCC=C2C=CC(N)C=C2C1
InChIInChI=1S/C13H20N2O/c1-16-8-7-15-6-2-3-11-4-5-13(14)9-12(11)10-15/h3-5,9,13H,2,6-8,10,14H2,1H3
InChIKeyJDOGLMOPWMYVIA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.09
Rot. Bonds3

About 2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine

2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine (PubChem CID 118272628) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine
PubChem CID118272628
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine
SMILESCOCCN1CCC=C2C=CC(N)C=C2C1
InChIInChI=1S/C13H20N2O/c1-16-8-7-15-6-2-3-11-4-5-13(14)9-12(11)10-15/h3-5,9,13H,2,6-8,10,14H2,1H3
InChIKeyJDOGLMOPWMYVIA-UHFFFAOYSA-N
XLogP1.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine?
The IUPAC name of 2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine (CID 118272628) is 2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine.
What is the SMILES notation for 2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine?
The canonical SMILES for 2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine is COCCN1CCC=C2C=CC(N)C=C2C1.
What is the InChIKey of 2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine?
The InChIKey is JDOGLMOPWMYVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-8-7-15-6-2-3-11-4-5-13(14)9-12(11)10-15/h3-5,9,13H,2,6-8,10,14H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine?
2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine has a molecular weight of 220.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine is sourced from PubChem (CID 118272628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).