[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine

C13H19ClN2O2 — CID 105204535

IUPAC[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
SMILESCOc1cc(C(CC2CC2)NN)cc(Cl)c1OC
InChIInChI=1S/C13H19ClN2O2/c1-17-12-7-9(6-10(14)13(12)18-2)11(16-15)5-8-3-4-8/h6-8,11,16H,3-5,15H2,1-2H3
InChIKeyIMLCHJCDAIMEIY-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.66
Rot. Bonds6

About [1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine

[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine (PubChem CID 105204535) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is [1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
PubChem CID105204535
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
SMILESCOc1cc(C(CC2CC2)NN)cc(Cl)c1OC
InChIInChI=1S/C13H19ClN2O2/c1-17-12-7-9(6-10(14)13(12)18-2)11(16-15)5-8-3-4-8/h6-8,11,16H,3-5,15H2,1-2H3
InChIKeyIMLCHJCDAIMEIY-UHFFFAOYSA-N
XLogP2.66
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
CID 64906585
[1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105204575
1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
CID 105204626
[(3-chloro-4,5-dimethoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105204608
[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105204631
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
[2-cyclobutyl-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192203
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443
[1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105204563
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
CID 82931298

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine?
The IUPAC name of [1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine (CID 105204535) is [1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine is COc1cc(C(CC2CC2)NN)cc(Cl)c1OC.
What is the InChIKey of [1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine?
The InChIKey is IMLCHJCDAIMEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-17-12-7-9(6-10(14)13(12)18-2)11(16-15)5-8-3-4-8/h6-8,11,16H,3-5,15H2,1-2H3.
What are the key properties of [1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine?
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine has a molecular weight of 270.76 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine is sourced from PubChem (CID 105204535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).