1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine

C21H20Cl2N2O2 — CID 169386081

IUPAC1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine
SMILESCOc1cc(CNNc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20Cl2N2O2/c1-26-21-11-15(13-24-25-18-5-3-2-4-6-18)7-10-20(21)27-14-16-8-9-17(22)12-19(16)23/h2-12,24-25H,13-14H2,1H3
InChIKeyQNLSDLKNIONKFU-UHFFFAOYSA-N
MW403.31 g/mol
LogP5.70
Rot. Bonds8

About 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine

1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine (PubChem CID 169386081) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine
PubChem CID169386081
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC Name1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine
SMILESCOc1cc(CNNc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20Cl2N2O2/c1-26-21-11-15(13-24-25-18-5-3-2-4-6-18)7-10-20(21)27-14-16-8-9-17(22)12-19(16)23/h2-12,24-25H,13-14H2,1H3
InChIKeyQNLSDLKNIONKFU-UHFFFAOYSA-N
XLogP5.70
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 55.70
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-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169385134
1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine
CID 169385117
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-ethylaniline
CID 126116089
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209578
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723938
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294671
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 4716681
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291681
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 4723130
1-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385645
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331636

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine (CID 169386081) is 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine is COc1cc(CNNc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine?
The InChIKey is QNLSDLKNIONKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c1-26-21-11-15(13-24-25-18-5-3-2-4-6-18)7-10-20(21)27-14-16-8-9-17(22)12-19(16)23/h2-12,24-25H,13-14H2,1H3.
What are the key properties of 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine?
1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine has a molecular weight of 403.31 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).