1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C16H26N2O2 — CID 114336239

IUPAC1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCNC1CCCN(CCOCCOC)c2ccccc21
InChIInChI=1S/C16H26N2O2/c1-17-15-7-5-9-18(10-11-20-13-12-19-2)16-8-4-3-6-14(15)16/h3-4,6,8,15,17H,5,7,9-13H2,1-2H3
InChIKeyVFBYNWUUXHQJJD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114336239) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114336239
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCNC1CCCN(CCOCCOC)c2ccccc21
InChIInChI=1S/C16H26N2O2/c1-17-15-7-5-9-18(10-11-20-13-12-19-2)16-8-4-3-6-14(15)16/h3-4,6,8,15,17H,5,7,9-13H2,1-2H3
InChIKeyVFBYNWUUXHQJJD-UHFFFAOYSA-N
XLogP2.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114336239) is 1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CNC1CCCN(CCOCCOC)c2ccccc21.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is VFBYNWUUXHQJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-15-7-5-9-18(10-11-20-13-12-19-2)16-8-4-3-6-14(15)16/h3-4,6,8,15,17H,5,7,9-13H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 278.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114336239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).