1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine

C22H21F3N2O2 — CID 169386023

IUPAC1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine
SMILESCOc1ccc(CNNc2ccccc2)cc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F3N2O2/c1-28-20-11-10-16(14-26-27-19-8-3-2-4-9-19)13-21(20)29-15-17-6-5-7-18(12-17)22(23,24)25/h2-13,26-27H,14-15H2,1H3
InChIKeyRTIGHBLCHCKMFN-UHFFFAOYSA-N
MW402.42 g/mol
LogP5.41
Rot. Bonds8

About 1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine

1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine (PubChem CID 169386023) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine
PubChem CID169386023
Molecular FormulaC22H21F3N2O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine
SMILESCOc1ccc(CNNc2ccccc2)cc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F3N2O2/c1-28-20-11-10-16(14-26-27-19-8-3-2-4-9-19)13-21(20)29-15-17-6-5-7-18(12-17)22(23,24)25/h2-13,26-27H,14-15H2,1H3
InChIKeyRTIGHBLCHCKMFN-UHFFFAOYSA-N
XLogP5.41
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 55.41
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-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169385669
1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169386012
N-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]aniline
CID 169384243
1-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386843
N-[(6-chloro-3-pyridinyl)methyl]-1-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 78895049
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
1-[[3-[(2,4-difluorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine
CID 169384938
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169384519
1-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385385
1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386081
N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 43758496
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine (CID 169386023) is 1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine is COc1ccc(CNNc2ccccc2)cc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine?
The InChIKey is RTIGHBLCHCKMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c1-28-20-11-10-16(14-26-27-19-8-3-2-4-9-19)13-21(20)29-15-17-6-5-7-18(12-17)22(23,24)25/h2-13,26-27H,14-15H2,1H3.
What are the key properties of 1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine?
1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine has a molecular weight of 402.42 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).