2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine

C11H13ClN2O — CID 83004186

IUPAC2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine
SMILESCN(C)NCc1c(Cl)oc2ccccc12
InChIInChI=1S/C11H13ClN2O/c1-14(2)13-7-9-8-5-3-4-6-10(8)15-11(9)12/h3-6,13H,7H2,1-2H3
InChIKeyLKNVVWNQYBZULX-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.65
Rot. Bonds3

About 2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine

2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine (PubChem CID 83004186) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine
PubChem CID83004186
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine
SMILESCN(C)NCc1c(Cl)oc2ccccc12
InChIInChI=1S/C11H13ClN2O/c1-14(2)13-7-9-8-5-3-4-6-10(8)15-11(9)12/h3-6,13H,7H2,1-2H3
InChIKeyLKNVVWNQYBZULX-UHFFFAOYSA-N
XLogP2.65
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82704885
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 82760038
N-[(2-chloro-1-benzofuran-3-yl)methyl]-4-methylaniline
CID 82758767
2-[(2-chloro-1-benzofuran-3-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335447
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylsulfanylethanamine
CID 82705605
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
2-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 82759972
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 82704686
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 82711815
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 82757959
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 82758766

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine (CID 83004186) is 2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine is CN(C)NCc1c(Cl)oc2ccccc12.
What is the InChIKey of 2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine?
The InChIKey is LKNVVWNQYBZULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-14(2)13-7-9-8-5-3-4-6-10(8)15-11(9)12/h3-6,13H,7H2,1-2H3.
What are the key properties of 2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine?
2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine has a molecular weight of 224.69 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 83004186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).