[(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine

C16H18ClIN2O — CID 103217745

IUPAC[(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
SMILESCOc1cc(C)c(C(NN)c2ccc(I)c(Cl)c2)cc1C
InChIInChI=1S/C16H18ClIN2O/c1-9-7-15(21-3)10(2)6-12(9)16(20-19)11-4-5-14(18)13(17)8-11/h4-8,16,20H,19H2,1-3H3
InChIKeySHWTXJNQZPWARD-UHFFFAOYSA-N
MW416.69 g/mol
LogP4.12
Rot. Bonds4

About [(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine

[(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine (PubChem CID 103217745) has the molecular formula C16H18ClIN2O and a molecular weight of 416.69 g/mol. Its IUPAC name is [(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
PubChem CID103217745
Molecular FormulaC16H18ClIN2O
Molecular Weight416.69 g/mol
Exact Mass416.02
IUPAC Name[(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
SMILESCOc1cc(C)c(C(NN)c2ccc(I)c(Cl)c2)cc1C
InChIInChI=1S/C16H18ClIN2O/c1-9-7-15(21-3)10(2)6-12(9)16(20-19)11-4-5-14(18)13(17)8-11/h4-8,16,20H,19H2,1-3H3
InChIKeySHWTXJNQZPWARD-UHFFFAOYSA-N
XLogP4.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.69
LogP ≤ 54.12
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

[(3-chloro-4-iodophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436374
1-[chloro-(3-chloro-4-iodophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 103210753
[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]hydrazine
CID 105332991
1-(2-chloro-4,5-dimethylphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220536
[(2-chloro-6-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105332922
[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312956
[(3-chloro-4-methylphenyl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 107562509
[(3-chloro-4-iodophenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 103217225
[(4-chlorophenyl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 105258369
[(3-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105257541
[(4-chloro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 105258314
[(5-chloro-2-methoxyphenyl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105300853

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine (CID 103217745) is [(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine is COc1cc(C)c(C(NN)c2ccc(I)c(Cl)c2)cc1C.
What is the InChIKey of [(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine?
The InChIKey is SHWTXJNQZPWARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClIN2O/c1-9-7-15(21-3)10(2)6-12(9)16(20-19)11-4-5-14(18)13(17)8-11/h4-8,16,20H,19H2,1-3H3.
What are the key properties of [(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine?
[(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine has a molecular weight of 416.69 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 103217745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).