1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine

C16H13F6NO — CID 113341793

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
SMILESFC(F)(F)c1cc(CNOCc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H13F6NO/c17-15(18,19)13-6-12(7-14(8-13)16(20,21)22)9-23-24-10-11-4-2-1-3-5-11/h1-8,23H,9-10H2
InChIKeyZJDGCCKVTDKYFE-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.95
Rot. Bonds5

About 1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine

1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine (PubChem CID 113341793) has the molecular formula C16H13F6NO and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
PubChem CID113341793
Molecular FormulaC16H13F6NO
Molecular Weight349.27 g/mol
Exact Mass349.09
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
SMILESFC(F)(F)c1cc(CNOCc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H13F6NO/c17-15(18,19)13-6-12(7-14(8-13)16(20,21)22)9-23-24-10-11-4-2-1-3-5-11/h1-8,23H,9-10H2
InChIKeyZJDGCCKVTDKYFE-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 42776865
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxyethenamine
CID 57100784
1-benzyl-3,5-bis(trifluoromethyl)benzene
CID 11993967
N-phenylmethoxy-3-(trifluoromethyl)aniline
CID 154104774
2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid
CID 141259351
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
3,3,3-trifluoro-N-phenylmethoxypropan-1-amine
CID 64974455
1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine
CID 64974568
1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine
CID 82709496
N-phenylmethoxy-1-thiophen-3-ylmethanamine
CID 64974208
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
CID 54190272
CID 54190272

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine (CID 113341793) is 1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine is FC(F)(F)c1cc(CNOCc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine?
The InChIKey is ZJDGCCKVTDKYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6NO/c17-15(18,19)13-6-12(7-14(8-13)16(20,21)22)9-23-24-10-11-4-2-1-3-5-11/h1-8,23H,9-10H2.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine?
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine has a molecular weight of 349.27 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine is sourced from PubChem (CID 113341793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).