[1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine

C16H19ClN2O2 — CID 105289375

IUPAC[1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1ccccc1CC(COc1cccc(Cl)c1)NN
InChIInChI=1S/C16H19ClN2O2/c1-20-16-8-3-2-5-12(16)9-14(19-18)11-21-15-7-4-6-13(17)10-15/h2-8,10,14,19H,9,11,18H2,1H3
InChIKeyHOILHNPYOVTCAE-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.80
Rot. Bonds7

About [1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine

[1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine (PubChem CID 105289375) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is [1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
PubChem CID105289375
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name[1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1ccccc1CC(COc1cccc(Cl)c1)NN
InChIInChI=1S/C16H19ClN2O2/c1-20-16-8-3-2-5-12(16)9-14(19-18)11-21-15-7-4-6-13(17)10-15/h2-8,10,14,19H,9,11,18H2,1H3
InChIKeyHOILHNPYOVTCAE-UHFFFAOYSA-N
XLogP2.80
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine (CID 105289375) is [1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine is COc1ccccc1CC(COc1cccc(Cl)c1)NN.
What is the InChIKey of [1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine?
The InChIKey is HOILHNPYOVTCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-20-16-8-3-2-5-12(16)9-14(19-18)11-21-15-7-4-6-13(17)10-15/h2-8,10,14,19H,9,11,18H2,1H3.
What are the key properties of [1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine?
[1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine has a molecular weight of 306.79 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105289375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).