[1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine

C17H17ClN2O — CID 105208993

IUPAC[1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
SMILESCc1cccc(CC(NN)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C17H17ClN2O/c1-11-4-2-5-12(8-11)9-15(20-19)16-10-13-6-3-7-14(18)17(13)21-16/h2-8,10,15,20H,9,19H2,1H3
InChIKeyDQRDWHVOAACBKW-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.14
Rot. Bonds4

About [1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine

[1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine (PubChem CID 105208993) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is [1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
PubChem CID105208993
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name[1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
SMILESCc1cccc(CC(NN)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C17H17ClN2O/c1-11-4-2-5-12(8-11)9-15(20-19)16-10-13-6-3-7-14(18)17(13)21-16/h2-8,10,15,20H,9,19H2,1H3
InChIKeyDQRDWHVOAACBKW-UHFFFAOYSA-N
XLogP4.14
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.14
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

1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol
CID 114726389
[1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105284216
[1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105249039
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
[(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105339711
[(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103839
1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115837599
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
[1-(2-methylfuran-3-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105269004
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
[(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 107986198
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105186934

Frequently Asked Questions

What is the IUPAC name of [1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine (CID 105208993) is [1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine is Cc1cccc(CC(NN)c2cc3cccc(Cl)c3o2)c1.
What is the InChIKey of [1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine?
The InChIKey is DQRDWHVOAACBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-4-2-5-12(8-11)9-15(20-19)16-10-13-6-3-7-14(18)17(13)21-16/h2-8,10,15,20H,9,19H2,1H3.
What are the key properties of [1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine?
[1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine has a molecular weight of 300.79 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105208993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).