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

C8H11ClN2O — CID 118832500

IUPAC[2-(chloromethyl)-3-methoxyphenyl]hydrazine
SMILESCOc1cccc(NN)c1CCl
InChIInChI=1S/C8H11ClN2O/c1-12-8-4-2-3-7(11-10)6(8)5-9/h2-4,11H,5,10H2,1H3
InChIKeyXNIBHMWYIAVQJG-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.72
Rot. Bonds3

About [2-(chloromethyl)-3-methoxyphenyl]hydrazine

[2-(chloromethyl)-3-methoxyphenyl]hydrazine (PubChem CID 118832500) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is [2-(chloromethyl)-3-methoxyphenyl]hydrazine.

Molecular Properties

Compound Name[2-(chloromethyl)-3-methoxyphenyl]hydrazine
PubChem CID118832500
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name[2-(chloromethyl)-3-methoxyphenyl]hydrazine
SMILESCOc1cccc(NN)c1CCl
InChIInChI=1S/C8H11ClN2O/c1-12-8-4-2-3-7(11-10)6(8)5-9/h2-4,11H,5,10H2,1H3
InChIKeyXNIBHMWYIAVQJG-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

2-(2-hydrazinyl-6-methoxyphenyl)acetic acid
CID 131028990
(2-chloro-3-methoxyphenyl)hydrazine
CID 55279631
(2-chloro-3-methoxyphenyl)hydrazine;hydrochloride
CID 138619789
[3-methoxy-2-(trifluoromethyl)phenyl]hydrazine
CID 130053332
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
(2,3-dimethoxyphenyl)hydrazine;oxalic acid
CID 138619580
(2-ethoxy-6-hydrazinylphenyl)methanol
CID 118830309
[3-(chloromethyl)-4-methoxyphenyl]hydrazine
CID 130950896
(3-chloro-2-ethylphenyl)hydrazine
CID 67877946
[2-[(2-chloro-1-methoxyethyl)amino]-6-methoxyphenyl]methanol
CID 137382720
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
(3-chloro-2-methoxyphenyl)hydrazine;hydrochloride
CID 138619398

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-3-methoxyphenyl]hydrazine?
The IUPAC name of [2-(chloromethyl)-3-methoxyphenyl]hydrazine (CID 118832500) is [2-(chloromethyl)-3-methoxyphenyl]hydrazine.
What is the SMILES notation for [2-(chloromethyl)-3-methoxyphenyl]hydrazine?
The canonical SMILES for [2-(chloromethyl)-3-methoxyphenyl]hydrazine is COc1cccc(NN)c1CCl.
What is the InChIKey of [2-(chloromethyl)-3-methoxyphenyl]hydrazine?
The InChIKey is XNIBHMWYIAVQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-12-8-4-2-3-7(11-10)6(8)5-9/h2-4,11H,5,10H2,1H3.
What are the key properties of [2-(chloromethyl)-3-methoxyphenyl]hydrazine?
[2-(chloromethyl)-3-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 [2-(chloromethyl)-3-methoxyphenyl]hydrazine is sourced from PubChem (CID 118832500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).