1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine

C15H15BrF2N2O — CID 139453850

IUPAC1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cccc(N(C)N)c1COc1cc(F)c(Br)c(F)c1
InChIInChI=1S/C15H15BrF2N2O/c1-9-4-3-5-14(20(2)19)11(9)8-21-10-6-12(17)15(16)13(18)7-10/h3-7H,8,19H2,1-2H3
InChIKeyUSVHAEPJFZULJQ-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.92
Rot. Bonds4

About 1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine

1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine (PubChem CID 139453850) has the molecular formula C15H15BrF2N2O and a molecular weight of 357.20 g/mol. Its IUPAC name is 1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine
PubChem CID139453850
Molecular FormulaC15H15BrF2N2O
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC Name1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cccc(N(C)N)c1COc1cc(F)c(Br)c(F)c1
InChIInChI=1S/C15H15BrF2N2O/c1-9-4-3-5-14(20(2)19)11(9)8-21-10-6-12(17)15(16)13(18)7-10/h3-7H,8,19H2,1-2H3
InChIKeyUSVHAEPJFZULJQ-UHFFFAOYSA-N
XLogP3.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[3-(4-fluorophenyl)-4-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine
CID 146633032
1-[2-[[2-(4-fluorophenyl)-4-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 144739084
1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 155236368
1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 146632622
1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
CID 144739226
4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol
CID 129110158
1-[2-[[4-methoxy-3-(3-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]-1-methylhydrazine
CID 146632139
1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine
CID 144834428
1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
CID 155217757
1-[4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-3-methylphenyl]ethanone
CID 134300722
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 155217844
1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide
CID 144834427

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine (CID 139453850) is 1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine is Cc1cccc(N(C)N)c1COc1cc(F)c(Br)c(F)c1.
What is the InChIKey of 1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine?
The InChIKey is USVHAEPJFZULJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O/c1-9-4-3-5-14(20(2)19)11(9)8-21-10-6-12(17)15(16)13(18)7-10/h3-7H,8,19H2,1-2H3.
What are the key properties of 1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine?
1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine has a molecular weight of 357.20 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine is sourced from PubChem (CID 139453850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).