N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine

C9H10F3NO — CID 22356645

IUPACN-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
SMILESCNOCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-13-14-6-7-3-2-4-8(5-7)9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyJUXTWTFYXRRBPY-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.36
Rot. Bonds3

About N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine

N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine (PubChem CID 22356645) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
PubChem CID22356645
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
SMILESCNOCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-13-14-6-7-3-2-4-8(5-7)9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyJUXTWTFYXRRBPY-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.36
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-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid
CID 141259351
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
N-phenylmethoxy-3-(trifluoromethyl)aniline
CID 154104774
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine
CID 79782023
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine (CID 22356645) is N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine is CNOCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine?
The InChIKey is JUXTWTFYXRRBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-13-14-6-7-3-2-4-8(5-7)9(10,11)12/h2-5,13H,6H2,1H3.
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine?
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine has a molecular weight of 205.18 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine is sourced from PubChem (CID 22356645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).