[1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine

C16H19IN2 — CID 114030517

IUPAC[1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine
SMILESCc1cccc(C(CCc2ccccc2)NN)c1I
InChIInChI=1S/C16H19IN2/c1-12-6-5-9-14(16(12)17)15(19-18)11-10-13-7-3-2-4-8-13/h2-9,15,19H,10-11,18H2,1H3
InChIKeyGIBLYFUSXVTGOU-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.74
Rot. Bonds5

About [1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine

[1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine (PubChem CID 114030517) has the molecular formula C16H19IN2 and a molecular weight of 366.25 g/mol. Its IUPAC name is [1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine
PubChem CID114030517
Molecular FormulaC16H19IN2
Molecular Weight366.25 g/mol
Exact Mass366.06
IUPAC Name[1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine
SMILESCc1cccc(C(CCc2ccccc2)NN)c1I
InChIInChI=1S/C16H19IN2/c1-12-6-5-9-14(16(12)17)15(19-18)11-10-13-7-3-2-4-8-13/h2-9,15,19H,10-11,18H2,1H3
InChIKeyGIBLYFUSXVTGOU-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine
CID 107516336
[1-(2-chlorophenyl)-3-phenylpropyl]hydrazine
CID 105205580
[1-(2,4-difluoro-5-methylphenyl)-3-phenylpropyl]hydrazine
CID 105285916
[1-(2,3-dimethylphenyl)-3-pyridin-4-ylpropyl]hydrazine
CID 105300607
[1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine
CID 114028417
[3-phenyl-1-(2-propan-2-yloxyphenyl)propyl]hydrazine
CID 105205730
[1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310577
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028
[1-(2-fluoro-4,6-dimethylphenyl)-3-phenylpropyl]hydrazine
CID 106884252
4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine
CID 105231057

Frequently Asked Questions

What is the IUPAC name of [1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine?
The IUPAC name of [1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine (CID 114030517) is [1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine.
What is the SMILES notation for [1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine?
The canonical SMILES for [1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine is Cc1cccc(C(CCc2ccccc2)NN)c1I.
What is the InChIKey of [1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine?
The InChIKey is GIBLYFUSXVTGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2/c1-12-6-5-9-14(16(12)17)15(19-18)11-10-13-7-3-2-4-8-13/h2-9,15,19H,10-11,18H2,1H3.
What are the key properties of [1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine?
[1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine has a molecular weight of 366.25 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine is sourced from PubChem (CID 114030517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).