1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine

C20H19Cl2N3O — CID 144773253

IUPAC1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cccc(N(C)N)c1COc1cc(Cl)c(-c2ccccn2)cc1Cl
InChIInChI=1S/C20H19Cl2N3O/c1-13-6-5-8-19(25(2)23)15(13)12-26-20-11-16(21)14(10-17(20)22)18-7-3-4-9-24-18/h3-11H,12,23H2,1-2H3
InChIKeyPFLRPEVIQQZKNC-UHFFFAOYSA-N
MW388.30 g/mol
LogP5.25
Rot. Bonds5

About 1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine

1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine (PubChem CID 144773253) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine
PubChem CID144773253
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC Name1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cccc(N(C)N)c1COc1cc(Cl)c(-c2ccccn2)cc1Cl
InChIInChI=1S/C20H19Cl2N3O/c1-13-6-5-8-19(25(2)23)15(13)12-26-20-11-16(21)14(10-17(20)22)18-7-3-4-9-24-18/h3-11H,12,23H2,1-2H3
InChIKeyPFLRPEVIQQZKNC-UHFFFAOYSA-N
XLogP5.25
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.25
H-Bond Donors ≤ 51
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-[2-[[2-(4-fluorophenyl)-4-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 144739084
1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 146632622
1-[4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-3-methylphenyl]ethanone
CID 134300722
1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine
CID 146633077
methyl N-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]-3-methylphenyl]-N-hydroxycarbamate
CID 129038769
1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine
CID 139453850
1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 155236368
1-methyl-1-[3-methyl-2-[(6-thiophen-3-yl-2-pyridinyl)oxymethyl]phenyl]hydrazine
CID 144739143
4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-N,3-dimethyl-N-phenylaniline;formohydrazide
CID 144784749
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 155217844
1-[2-[[4-methoxy-3-(3-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]-1-methylhydrazine
CID 146632139
methyl N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-methylphenyl]-N-hydroxycarbamate
CID 126587825

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine (CID 144773253) is 1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine is Cc1cccc(N(C)N)c1COc1cc(Cl)c(-c2ccccn2)cc1Cl.
What is the InChIKey of 1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine?
The InChIKey is PFLRPEVIQQZKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-13-6-5-8-19(25(2)23)15(13)12-26-20-11-16(21)14(10-17(20)22)18-7-3-4-9-24-18/h3-11H,12,23H2,1-2H3.
What are the key properties of 1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine?
1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine has a molecular weight of 388.30 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine is sourced from PubChem (CID 144773253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).