[4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine

C13H17ClN2O — CID 105235506

IUPAC[4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine
SMILESCc1cccc2cc(C(CCCCl)NN)oc12
InChIInChI=1S/C13H17ClN2O/c1-9-4-2-5-10-8-12(17-13(9)10)11(16-15)6-3-7-14/h2,4-5,8,11,16H,3,6-7,15H2,1H3
InChIKeyNXHZOFFUFWBSPC-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.26
Rot. Bonds5

About [4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine

[4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine (PubChem CID 105235506) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is [4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine
PubChem CID105235506
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name[4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine
SMILESCc1cccc2cc(C(CCCCl)NN)oc12
InChIInChI=1S/C13H17ClN2O/c1-9-4-2-5-10-8-12(17-13(9)10)11(16-15)6-3-7-14/h2,4-5,8,11,16H,3,6-7,15H2,1H3
InChIKeyNXHZOFFUFWBSPC-UHFFFAOYSA-N
XLogP3.26
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethyl]hydrazine
CID 105212911
[2-ethoxy-1-(7-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235204
[1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine
CID 105209906
[1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
CID 105228017
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
[1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105249039
[2-cyclopropyl-1-(7-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338377
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185489
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711
[(3,5-dichloro-2-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105248604

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine?
The IUPAC name of [4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine (CID 105235506) is [4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine.
What is the SMILES notation for [4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine?
The canonical SMILES for [4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine is Cc1cccc2cc(C(CCCCl)NN)oc12.
What is the InChIKey of [4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine?
The InChIKey is NXHZOFFUFWBSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-4-2-5-10-8-12(17-13(9)10)11(16-15)6-3-7-14/h2,4-5,8,11,16H,3,6-7,15H2,1H3.
What are the key properties of [4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine?
[4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine has a molecular weight of 252.74 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine is sourced from PubChem (CID 105235506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).