[(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine

C13H19ClN2O2 — CID 105276690

IUPAC[(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
SMILESCOC1(C(NN)c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C13H19ClN2O2/c1-17-13(5-7-18-8-6-13)12(16-15)10-3-2-4-11(14)9-10/h2-4,9,12,16H,5-8,15H2,1H3
InChIKeyIINBYOBDKHZNIF-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.04
Rot. Bonds4

About [(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine

[(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine (PubChem CID 105276690) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is [(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
PubChem CID105276690
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name[(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
SMILESCOC1(C(NN)c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C13H19ClN2O2/c1-17-13(5-7-18-8-6-13)12(16-15)10-3-2-4-11(14)9-10/h2-4,9,12,16H,5-8,15H2,1H3
InChIKeyIINBYOBDKHZNIF-UHFFFAOYSA-N
XLogP2.04
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.04
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

[(2,6-dimethoxyphenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 105276635
N-[(3-chlorophenyl)-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766029
[(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105276457
(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
CID 104610685
[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105278241
[(3-ethylphenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268588
[(4-chloro-2-fluorophenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268763
N-[(3-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765233
[(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 106765410
2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000
[(1-methoxycyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105268841
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116764616

Frequently Asked Questions

What is the IUPAC name of [(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine?
The IUPAC name of [(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine (CID 105276690) is [(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine is COC1(C(NN)c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of [(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine?
The InChIKey is IINBYOBDKHZNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-17-13(5-7-18-8-6-13)12(16-15)10-3-2-4-11(14)9-10/h2-4,9,12,16H,5-8,15H2,1H3.
What are the key properties of [(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine?
[(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine has a molecular weight of 270.76 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105276690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).