[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine

C17H25ClN2O — CID 106831346

IUPAC[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
SMILESCC1(C(Cc2cc(Cl)cc3c2OCC3)NN)CCCCC1
InChIInChI=1S/C17H25ClN2O/c1-17(6-3-2-4-7-17)15(20-19)11-13-10-14(18)9-12-5-8-21-16(12)13/h9-10,15,20H,2-8,11,19H2,1H3
InChIKeyLBUBREBYUVHHSF-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.62
Rot. Bonds4

About [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine

[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine (PubChem CID 106831346) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
PubChem CID106831346
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
SMILESCC1(C(Cc2cc(Cl)cc3c2OCC3)NN)CCCCC1
InChIInChI=1S/C17H25ClN2O/c1-17(6-3-2-4-7-17)15(20-19)11-13-10-14(18)9-12-5-8-21-16(12)13/h9-10,15,20H,2-8,11,19H2,1H3
InChIKeyLBUBREBYUVHHSF-UHFFFAOYSA-N
XLogP3.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.62
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-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-ethylcyclopentyl)ethyl]hydrazine
CID 105332432
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339
[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215670
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 104545475
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258101
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(1-methylcyclopentyl)methyl]ethanamine
CID 104545625
[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
CID 105332467
4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244044
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
CID 105031505
[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214201
[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylheptan-2-yl]hydrazine
CID 105332421

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine?
The IUPAC name of [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine (CID 106831346) is [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine?
The canonical SMILES for [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine is CC1(C(Cc2cc(Cl)cc3c2OCC3)NN)CCCCC1.
What is the InChIKey of [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine?
The InChIKey is LBUBREBYUVHHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-17(6-3-2-4-7-17)15(20-19)11-13-10-14(18)9-12-5-8-21-16(12)13/h9-10,15,20H,2-8,11,19H2,1H3.
What are the key properties of [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine?
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine has a molecular weight of 308.85 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine is sourced from PubChem (CID 106831346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).