[1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine

C16H19IN2O — CID 105310577

IUPAC[1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine
SMILESCOc1ccc(CCC(NN)c2ccccc2I)cc1
InChIInChI=1S/C16H19IN2O/c1-20-13-9-6-12(7-10-13)8-11-16(19-18)14-4-2-3-5-15(14)17/h2-7,9-10,16,19H,8,11,18H2,1H3
InChIKeyXHRFOEJONFNQAX-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.44
Rot. Bonds6

About [1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine

[1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine (PubChem CID 105310577) has the molecular formula C16H19IN2O and a molecular weight of 382.25 g/mol. Its IUPAC name is [1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine
PubChem CID105310577
Molecular FormulaC16H19IN2O
Molecular Weight382.25 g/mol
Exact Mass382.05
IUPAC Name[1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine
SMILESCOc1ccc(CCC(NN)c2ccccc2I)cc1
InChIInChI=1S/C16H19IN2O/c1-20-13-9-6-12(7-10-13)8-11-16(19-18)14-4-2-3-5-15(14)17/h2-7,9-10,16,19H,8,11,18H2,1H3
InChIKeyXHRFOEJONFNQAX-UHFFFAOYSA-N
XLogP3.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.44
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

1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864663
[1-(furan-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105213476
[1-(2,5-difluorophenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105219321
[1-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105302706
[1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310534
[1-(3-fluoro-4-pyridinyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105258537
[1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 102804965
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
[1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine
CID 114030517
N-ethyl-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570
1-(4-methoxyphenyl)pentan-3-ylhydrazine
CID 105200937
[1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310605

Frequently Asked Questions

What is the IUPAC name of [1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine?
The IUPAC name of [1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine (CID 105310577) is [1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine.
What is the SMILES notation for [1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine?
The canonical SMILES for [1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine is COc1ccc(CCC(NN)c2ccccc2I)cc1.
What is the InChIKey of [1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine?
The InChIKey is XHRFOEJONFNQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2O/c1-20-13-9-6-12(7-10-13)8-11-16(19-18)14-4-2-3-5-15(14)17/h2-7,9-10,16,19H,8,11,18H2,1H3.
What are the key properties of [1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine?
[1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine has a molecular weight of 382.25 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine is sourced from PubChem (CID 105310577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).