[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine

C17H23ClN2O — CID 107194873

IUPAC[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
SMILESCC1(C)CCCCC1C(NN)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C17H23ClN2O/c1-17(2)9-4-3-7-12(17)15(20-19)14-10-11-6-5-8-13(18)16(11)21-14/h5-6,8,10,12,15,20H,3-4,7,9,19H2,1-2H3
InChIKeyPBCPXPZJMWXWGF-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.81
Rot. Bonds3

About [(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine

[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine (PubChem CID 107194873) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is [(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
PubChem CID107194873
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
SMILESCC1(C)CCCCC1C(NN)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C17H23ClN2O/c1-17(2)9-4-3-7-12(17)15(20-19)14-10-11-6-5-8-13(18)16(11)21-14/h5-6,8,10,12,15,20H,3-4,7,9,19H2,1-2H3
InChIKeyPBCPXPZJMWXWGF-UHFFFAOYSA-N
XLogP4.81
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229716
[(2,3-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]hydrazine
CID 107193772
[(2,2-dimethylcyclopropyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 107005862
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
[(2,2-dimethylcyclohexyl)-(furan-2-yl)methyl]hydrazine
CID 107193914
[(2-chloro-5-fluorophenyl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107194986
(2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107191137
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105224798
[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105204500
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105048647
[(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methyl]hydrazine
CID 107193522
[7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105339280

Frequently Asked Questions

What is the IUPAC name of [(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine (CID 107194873) is [(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine is CC1(C)CCCCC1C(NN)c1cc2cccc(Cl)c2o1.
What is the InChIKey of [(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine?
The InChIKey is PBCPXPZJMWXWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-17(2)9-4-3-7-12(17)15(20-19)14-10-11-6-5-8-13(18)16(11)21-14/h5-6,8,10,12,15,20H,3-4,7,9,19H2,1-2H3.
What are the key properties of [(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine?
[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine has a molecular weight of 306.84 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 107194873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).