1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine

C14H12F3NO — CID 91170353

IUPAC1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine
SMILESFC(F)(F)c1cccc(ONCc2ccccc2)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)12-7-4-8-13(9-12)19-18-10-11-5-2-1-3-6-11/h1-9,18H,10H2
InChIKeyWDVITMGWSCFVCH-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.79
Rot. Bonds4

About 1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine

1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine (PubChem CID 91170353) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine
PubChem CID91170353
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine
SMILESFC(F)(F)c1cccc(ONCc2ccccc2)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)12-7-4-8-13(9-12)19-18-10-11-5-2-1-3-6-11/h1-9,18H,10H2
InChIKeyWDVITMGWSCFVCH-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
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

N-benzyl-4-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 18176646
N-benzyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;oxalic acid
CID 16614040
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 55464693
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 42776865
1-benzyl-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 110953874
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine?
The IUPAC name of 1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine (CID 91170353) is 1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine.
What is the SMILES notation for 1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine?
The canonical SMILES for 1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine is FC(F)(F)c1cccc(ONCc2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine?
The InChIKey is WDVITMGWSCFVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)12-7-4-8-13(9-12)19-18-10-11-5-2-1-3-6-11/h1-9,18H,10H2.
What are the key properties of 1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine?
1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine has a molecular weight of 267.25 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine is sourced from PubChem (CID 91170353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).