[3-(chloromethyl)-4-methoxyphenyl]hydrazine

C8H11ClN2O — CID 130950896

IUPAC[3-(chloromethyl)-4-methoxyphenyl]hydrazine
SMILESCOc1ccc(NN)cc1CCl
InChIInChI=1S/C8H11ClN2O/c1-12-8-3-2-7(11-10)4-6(8)5-9/h2-4,11H,5,10H2,1H3
InChIKeyLMBWJPKZOKLDAH-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.72
Rot. Bonds3

About [3-(chloromethyl)-4-methoxyphenyl]hydrazine

[3-(chloromethyl)-4-methoxyphenyl]hydrazine (PubChem CID 130950896) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is [3-(chloromethyl)-4-methoxyphenyl]hydrazine.

Molecular Properties

Compound Name[3-(chloromethyl)-4-methoxyphenyl]hydrazine
PubChem CID130950896
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name[3-(chloromethyl)-4-methoxyphenyl]hydrazine
SMILESCOc1ccc(NN)cc1CCl
InChIInChI=1S/C8H11ClN2O/c1-12-8-3-2-7(11-10)4-6(8)5-9/h2-4,11H,5,10H2,1H3
InChIKeyLMBWJPKZOKLDAH-UHFFFAOYSA-N
XLogP1.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-3-methoxyphenyl)hydrazine
CID 54372982
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
2-(chloromethyl)-4-diethylphosphoryl-1-methoxybenzene
CID 23273213
[2-(chloromethyl)-3-methoxyphenyl]hydrazine
CID 118832500
3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol
CID 169454426
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
1-chloro-5-(chloromethyl)-2,4-dimethoxybenzene
CID 82645011
N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine
CID 106505088
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
3-(chloromethyl)-4-ethoxy-N-(2-fluoroethyl)aniline
CID 80696118
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)-4-methoxyphenyl]hydrazine?
The IUPAC name of [3-(chloromethyl)-4-methoxyphenyl]hydrazine (CID 130950896) is [3-(chloromethyl)-4-methoxyphenyl]hydrazine.
What is the SMILES notation for [3-(chloromethyl)-4-methoxyphenyl]hydrazine?
The canonical SMILES for [3-(chloromethyl)-4-methoxyphenyl]hydrazine is COc1ccc(NN)cc1CCl.
What is the InChIKey of [3-(chloromethyl)-4-methoxyphenyl]hydrazine?
The InChIKey is LMBWJPKZOKLDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-12-8-3-2-7(11-10)4-6(8)5-9/h2-4,11H,5,10H2,1H3.
What are the key properties of [3-(chloromethyl)-4-methoxyphenyl]hydrazine?
[3-(chloromethyl)-4-methoxyphenyl]hydrazine has a molecular weight of 186.64 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)-4-methoxyphenyl]hydrazine is sourced from PubChem (CID 130950896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).