2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline

C14H14F3N3 — CID 105264842

IUPAC2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline
SMILESNNC(c1ccccc1)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C14H14F3N3/c15-14(16,17)10-6-7-12(18)11(8-10)13(20-19)9-4-2-1-3-5-9/h1-8,13,20H,18-19H2
InChIKeyQOBVAGNPRGLWDD-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.84
Rot. Bonds3

About 2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline

2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline (PubChem CID 105264842) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline
PubChem CID105264842
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline
SMILESNNC(c1ccccc1)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C14H14F3N3/c15-14(16,17)10-6-7-12(18)11(8-10)13(20-19)9-4-2-1-3-5-9/h1-8,13,20H,18-19H2
InChIKeyQOBVAGNPRGLWDD-UHFFFAOYSA-N
XLogP2.84
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline
CID 146643122
[(4-fluorophenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250257
[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105192836
[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]hydrazine
CID 102759413
[(2,6-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105302320
2-amino-1-[2-amino-5-(trifluoromethyl)phenyl]propan-1-ol
CID 105494015
2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline
CID 107292299
2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline
CID 105264836
[[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine
CID 105250289
[(2-fluorophenyl)-phenylmethyl]hydrazine
CID 53402124
[(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193884
[(2,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301356

Frequently Asked Questions

What is the IUPAC name of 2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of 2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline (CID 105264842) is 2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline is NNC(c1ccccc1)c1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline?
The InChIKey is QOBVAGNPRGLWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)10-6-7-12(18)11(8-10)13(20-19)9-4-2-1-3-5-9/h1-8,13,20H,18-19H2.
What are the key properties of 2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline?
2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline has a molecular weight of 281.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 105264842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).