1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine

C9H13ClN2 — CID 142181266

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine
SMILESCc1ccc(CN(C)N)c(Cl)c1
InChIInChI=1S/C9H13ClN2/c1-7-3-4-8(6-12(2)11)9(10)5-7/h3-5H,6,11H2,1-2H3
InChIKeyQANVPYPGPGBXGR-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.95
Rot. Bonds2

About 1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine

1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine (PubChem CID 142181266) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine
PubChem CID142181266
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine
SMILESCc1ccc(CN(C)N)c(Cl)c1
InChIInChI=1S/C9H13ClN2/c1-7-3-4-8(6-12(2)11)9(10)5-7/h3-5H,6,11H2,1-2H3
InChIKeyQANVPYPGPGBXGR-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
(2-chloro-4-methylphenyl)methylhydrazine
CID 106860884
2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid
CID 107440608
2-(2-chloro-4-methylphenyl)ethanethioamide
CID 106863362
4-[(2-chloro-4-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 106863831
2-[(2-chloro-4-methylphenyl)methyl-methylamino]benzenecarbothioamide
CID 106863542
methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 106869252
3-chloro-4-[(N,2,4-trimethylanilino)methyl]benzonitrile
CID 102665445
N-[(2-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106865573
2-[[(2-chloro-4-methylphenyl)methyl-cyclopropylamino]methyl]aniline
CID 106864211
3-[(2-chloro-4-methylphenyl)methyl-propan-2-ylamino]propanethioamide
CID 106863520

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine (CID 142181266) is 1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine is Cc1ccc(CN(C)N)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine?
The InChIKey is QANVPYPGPGBXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-7-3-4-8(6-12(2)11)9(10)5-7/h3-5H,6,11H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine?
1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine has a molecular weight of 184.67 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine is sourced from PubChem (CID 142181266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).