(3-chloro-4-methylphenoxy)methylhydrazine

C8H11ClN2O — CID 91621764

IUPAC(3-chloro-4-methylphenoxy)methylhydrazine
SMILESCc1ccc(OCNN)cc1Cl
InChIInChI=1S/C8H11ClN2O/c1-6-2-3-7(4-8(6)9)12-5-11-10/h2-4,11H,5,10H2,1H3
InChIKeyZKXVILBMNZVRAY-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.45
Rot. Bonds3

About (3-chloro-4-methylphenoxy)methylhydrazine

(3-chloro-4-methylphenoxy)methylhydrazine (PubChem CID 91621764) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is (3-chloro-4-methylphenoxy)methylhydrazine.

Molecular Properties

Compound Name(3-chloro-4-methylphenoxy)methylhydrazine
PubChem CID91621764
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name(3-chloro-4-methylphenoxy)methylhydrazine
SMILESCc1ccc(OCNN)cc1Cl
InChIInChI=1S/C8H11ClN2O/c1-6-2-3-7(4-8(6)9)12-5-11-10/h2-4,11H,5,10H2,1H3
InChIKeyZKXVILBMNZVRAY-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane
CID 40802006
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
(3-chloro-4-methylphenyl) carbamate
CID 18431892
2-[2-(3-chloro-4-methylphenoxy)ethyl]guanidine
CID 154150076
N-[(3-chloro-4-methylphenyl)methyl]-2-(3,4-dichlorophenoxy)ethanamine
CID 67864198
2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 118299415
bis(3-chloro-4-methylphenoxy)-oxophosphanium
CID 154133035
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890615
2-chloro-5-[2-(2,3,6-trimethylphenoxy)ethoxy]aniline
CID 39439031
5-chloro-4-[(3-chloro-4-methylphenoxy)methyl]-2-fluorobenzoic acid
CID 118501542
[3-chloro-2-[(3-chloro-4-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122645571

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenoxy)methylhydrazine?
The IUPAC name of (3-chloro-4-methylphenoxy)methylhydrazine (CID 91621764) is (3-chloro-4-methylphenoxy)methylhydrazine.
What is the SMILES notation for (3-chloro-4-methylphenoxy)methylhydrazine?
The canonical SMILES for (3-chloro-4-methylphenoxy)methylhydrazine is Cc1ccc(OCNN)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenoxy)methylhydrazine?
The InChIKey is ZKXVILBMNZVRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-6-2-3-7(4-8(6)9)12-5-11-10/h2-4,11H,5,10H2,1H3.
What are the key properties of (3-chloro-4-methylphenoxy)methylhydrazine?
(3-chloro-4-methylphenoxy)methylhydrazine has a molecular weight of 186.64 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenoxy)methylhydrazine is sourced from PubChem (CID 91621764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).