[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine

C17H21ClN2O — CID 105338486

IUPAC[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine
SMILESNNC(CC1CC2CCC1C2)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H21ClN2O/c18-14-3-4-16-13(7-14)9-17(21-16)15(20-19)8-12-6-10-1-2-11(12)5-10/h3-4,7,9-12,15,20H,1-2,5-6,8,19H2
InChIKeyHQTFTDOOPPNHLC-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.42
Rot. Bonds4

About [2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine

[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine (PubChem CID 105338486) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine
PubChem CID105338486
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine
SMILESNNC(CC1CC2CCC1C2)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H21ClN2O/c18-14-3-4-16-13(7-14)9-17(21-16)15(20-19)8-12-6-10-1-2-11(12)5-10/h3-4,7,9-12,15,20H,1-2,5-6,8,19H2
InChIKeyHQTFTDOOPPNHLC-UHFFFAOYSA-N
XLogP4.42
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.42
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

[2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105266606
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 105046040
[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105323574
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105215533
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dichlorophenyl)ethanamine
CID 43167287
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 63502583
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
CID 107970464
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethylphenyl)ethyl]hydrazine
CID 114027392
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethoxyphenyl)ethyl]hydrazine
CID 105323624
[1-(1-benzofuran-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethyl]hydrazine
CID 105262571
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine (CID 105338486) is [2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine is NNC(CC1CC2CCC1C2)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine?
The InChIKey is HQTFTDOOPPNHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-14-3-4-16-13(7-14)9-17(21-16)15(20-19)8-12-6-10-1-2-11(12)5-10/h3-4,7,9-12,15,20H,1-2,5-6,8,19H2.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine?
[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine has a molecular weight of 304.82 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105338486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).