1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine

C22H23ClN2O2 — CID 169386421

IUPAC1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCOc1cc(CNNc2ccccc2)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C22H23ClN2O2/c1-2-26-21-13-18(15-24-25-19-11-7-4-8-12-19)20(23)14-22(21)27-16-17-9-5-3-6-10-17/h3-14,24-25H,2,15-16H2,1H3
InChIKeyPPUTVCLYGXVJRW-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.43
Rot. Bonds9

About 1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine

1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169386421) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169386421
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCOc1cc(CNNc2ccccc2)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C22H23ClN2O2/c1-2-26-21-13-18(15-24-25-19-11-7-4-8-12-19)20(23)14-22(21)27-16-17-9-5-3-6-10-17/h3-14,24-25H,2,15-16H2,1H3
InChIKeyPPUTVCLYGXVJRW-UHFFFAOYSA-N
XLogP5.43
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386338
1-[(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385814
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-4-fluoroaniline
CID 66542323
N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline
CID 66541803
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]pentan-1-amine
CID 66530681
2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66537637
2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66542326
4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542477
N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
CID 66542397
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine
CID 66542788
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66530812
2-chloro-4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542751

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine (CID 169386421) is 1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine is CCOc1cc(CNNc2ccccc2)c(Cl)cc1OCc1ccccc1.
What is the InChIKey of 1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is PPUTVCLYGXVJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-2-26-21-13-18(15-24-25-19-11-7-4-8-12-19)20(23)14-22(21)27-16-17-9-5-3-6-10-17/h3-14,24-25H,2,15-16H2,1H3.
What are the key properties of 1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine?
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 382.89 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).