N-phenylmethoxy-3-(trifluoromethyl)aniline

C14H12F3NO — CID 154104774

IUPACN-phenylmethoxy-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NOCc2ccccc2)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)12-7-4-8-13(9-12)18-19-10-11-5-2-1-3-6-11/h1-9,18H,10H2
InChIKeyFZMDLGNEUKDCPC-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.25
Rot. Bonds4

About N-phenylmethoxy-3-(trifluoromethyl)aniline

N-phenylmethoxy-3-(trifluoromethyl)aniline (PubChem CID 154104774) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is N-phenylmethoxy-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-phenylmethoxy-3-(trifluoromethyl)aniline
PubChem CID154104774
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC NameN-phenylmethoxy-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NOCc2ccccc2)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)12-7-4-8-13(9-12)18-19-10-11-5-2-1-3-6-11/h1-9,18H,10H2
InChIKeyFZMDLGNEUKDCPC-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118043131
2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid
CID 141259351
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546257
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
methyl (2S)-3-phenyl-2-[3-(trifluoromethyl)anilino]propanoate
CID 162417638
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxyethenamine
CID 57100784

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-3-(trifluoromethyl)aniline?
The IUPAC name of N-phenylmethoxy-3-(trifluoromethyl)aniline (CID 154104774) is N-phenylmethoxy-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-phenylmethoxy-3-(trifluoromethyl)aniline?
The canonical SMILES for N-phenylmethoxy-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NOCc2ccccc2)c1.
What is the InChIKey of N-phenylmethoxy-3-(trifluoromethyl)aniline?
The InChIKey is FZMDLGNEUKDCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)12-7-4-8-13(9-12)18-19-10-11-5-2-1-3-6-11/h1-9,18H,10H2.
What are the key properties of N-phenylmethoxy-3-(trifluoromethyl)aniline?
N-phenylmethoxy-3-(trifluoromethyl)aniline has a molecular weight of 267.25 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-3-(trifluoromethyl)aniline is sourced from PubChem (CID 154104774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).