(7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine

C17H19N3O — CID 139213873

IUPAC(7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine
SMILESNNC1=NCCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C17H19N3O/c18-20-17-16-9-8-15(11-14(16)7-4-10-19-17)21-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12,18H2,(H,19,20)
InChIKeyGVADJASUFXFQMX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.42
Rot. Bonds3

About (7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine

(7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine (PubChem CID 139213873) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine.

Molecular Properties

Compound Name(7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine
PubChem CID139213873
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine
SMILESNNC1=NCCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C17H19N3O/c18-20-17-16-9-8-15(11-14(16)7-4-10-19-17)21-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12,18H2,(H,19,20)
InChIKeyGVADJASUFXFQMX-UHFFFAOYSA-N
XLogP2.42
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine?
The IUPAC name of (7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine (CID 139213873) is (7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine.
What is the SMILES notation for (7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine?
The canonical SMILES for (7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine is NNC1=NCCCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of (7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine?
The InChIKey is GVADJASUFXFQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-20-17-16-9-8-15(11-14(16)7-4-10-19-17)21-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12,18H2,(H,19,20).
What are the key properties of (7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine?
(7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine has a molecular weight of 281.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine is sourced from PubChem (CID 139213873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).