2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline

C14H14F3N3O — CID 169386987

IUPAC2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline
SMILESNc1ccc(OC(F)(F)F)cc1CNNc1ccccc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)21-12-6-7-13(18)10(8-12)9-19-20-11-4-2-1-3-5-11/h1-8,19-20H,9,18H2
InChIKeyZOFBWBZLDHKBCE-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.28
Rot. Bonds5

About 2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline

2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline (PubChem CID 169386987) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline
PubChem CID169386987
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline
SMILESNc1ccc(OC(F)(F)F)cc1CNNc1ccccc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)21-12-6-7-13(18)10(8-12)9-19-20-11-4-2-1-3-5-11/h1-8,19-20H,9,18H2
InChIKeyZOFBWBZLDHKBCE-UHFFFAOYSA-N
XLogP3.28
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-(trifluoromethoxy)aniline
CID 119013247
[2-amino-5-[3-(trifluoromethoxy)phenoxy]phenyl]methylcarbamic acid
CID 68662239
2-(3-aminopropyl)-4-(trifluoromethoxy)aniline
CID 170867746
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 15532440
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
1-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2-phenylhydrazine
CID 169387110
1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine
CID 169386741
1-[[2-(4-fluorophenoxy)phenyl]methyl]-2-phenylhydrazine
CID 169385090
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339
2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 83410120

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline?
The IUPAC name of 2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline (CID 169386987) is 2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline?
The canonical SMILES for 2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline is Nc1ccc(OC(F)(F)F)cc1CNNc1ccccc1.
What is the InChIKey of 2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline?
The InChIKey is ZOFBWBZLDHKBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)21-12-6-7-13(18)10(8-12)9-19-20-11-4-2-1-3-5-11/h1-8,19-20H,9,18H2.
What are the key properties of 2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline?
2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline has a molecular weight of 297.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 169386987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).