4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine

C17H26N2O2 — CID 10017117

IUPAC4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine
SMILESc1cc2c(cc1OCCCN1CCOCC1)CCNCC2
InChIInChI=1S/C17H26N2O2/c1(8-19-9-12-20-13-10-19)11-21-17-3-2-15-4-6-18-7-5-16(15)14-17/h2-3,14,18H,1,4-13H2
InChIKeyZWWFVQNBBLZGNH-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.48
Rot. Bonds5

About 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine

4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine (PubChem CID 10017117) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine
PubChem CID10017117
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine
SMILESc1cc2c(cc1OCCCN1CCOCC1)CCNCC2
InChIInChI=1S/C17H26N2O2/c1(8-19-9-12-20-13-10-19)11-21-17-3-2-15-4-6-18-7-5-16(15)14-17/h2-3,14,18H,1,4-13H2
InChIKeyZWWFVQNBBLZGNH-UHFFFAOYSA-N
XLogP1.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.48
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 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine?
The IUPAC name of 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine (CID 10017117) is 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine?
The canonical SMILES for 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine is c1cc2c(cc1OCCCN1CCOCC1)CCNCC2.
What is the InChIKey of 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine?
The InChIKey is ZWWFVQNBBLZGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1(8-19-9-12-20-13-10-19)11-21-17-3-2-15-4-6-18-7-5-16(15)14-17/h2-3,14,18H,1,4-13H2.
What are the key properties of 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine?
4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine has a molecular weight of 290.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propyl]morpholine is sourced from PubChem (CID 10017117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).