[2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine

C17H19IN2O — CID 114985317

IUPAC[2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine
SMILESNNC(CC1OCCc2ccccc21)c1ccc(I)cc1
InChIInChI=1S/C17H19IN2O/c18-14-7-5-13(6-8-14)16(20-19)11-17-15-4-2-1-3-12(15)9-10-21-17/h1-8,16-17,20H,9-11,19H2
InChIKeyYHXQCUDXZLGAGH-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.50
Rot. Bonds4

About [2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine

[2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine (PubChem CID 114985317) has the molecular formula C17H19IN2O and a molecular weight of 394.26 g/mol. Its IUPAC name is [2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine
PubChem CID114985317
Molecular FormulaC17H19IN2O
Molecular Weight394.26 g/mol
Exact Mass394.05
IUPAC Name[2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine
SMILESNNC(CC1OCCc2ccccc21)c1ccc(I)cc1
InChIInChI=1S/C17H19IN2O/c18-14-7-5-13(6-8-14)16(20-19)11-17-15-4-2-1-3-12(15)9-10-21-17/h1-8,16-17,20H,9-11,19H2
InChIKeyYHXQCUDXZLGAGH-UHFFFAOYSA-N
XLogP3.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4-dihydro-1H-isochromen-1-yl)-1-(furan-3-yl)ethyl]hydrazine
CID 114984670
[2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 114984506
[1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine
CID 114984729
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
CID 114984660
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-iodophenyl)ethanol
CID 115809682
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 114984696
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 114985326
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 114985281
1-(iodomethyl)-3,4-dihydro-1H-isochromene
CID 64788937
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 114985283
2-(3,4-dihydro-1H-isochromen-1-yl)ethylhydrazine
CID 114984667
3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093089

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine?
The IUPAC name of [2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine (CID 114985317) is [2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine is NNC(CC1OCCc2ccccc21)c1ccc(I)cc1.
What is the InChIKey of [2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine?
The InChIKey is YHXQCUDXZLGAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O/c18-14-7-5-13(6-8-14)16(20-19)11-17-15-4-2-1-3-12(15)9-10-21-17/h1-8,16-17,20H,9-11,19H2.
What are the key properties of [2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine?
[2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine has a molecular weight of 394.26 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine is sourced from PubChem (CID 114985317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).