N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine

C10H12F3NO2 — CID 18972791

IUPACN-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
SMILESCNCCOc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2/c1-14-6-7-15-8-2-4-9(5-3-8)16-10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKeyQGUHIZDFGJJSBP-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.18
Rot. Bonds5

About N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine

N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine (PubChem CID 18972791) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
PubChem CID18972791
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC NameN-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
SMILESCNCCOc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2/c1-14-6-7-15-8-2-4-9(5-3-8)16-10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKeyQGUHIZDFGJJSBP-UHFFFAOYSA-N
XLogP2.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine
CID 115667747
1-but-3-ynoxy-4-(trifluoromethoxy)benzene
CID 115777016
5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine
CID 113497382
N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline
CID 54935363
5-[4-(trifluoromethoxy)phenoxy]pentan-2-one
CID 113497431
1-pent-4-ynoxy-4-(trifluoromethoxy)benzene
CID 115872232
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
N-methyl-3-phenoxypropan-1-amine
CID 22067856
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
CID 123287066
CID 123287066
4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride
CID 146277545
N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 145265613

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine?
The IUPAC name of N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine (CID 18972791) is N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine?
The canonical SMILES for N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine is CNCCOc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine?
The InChIKey is QGUHIZDFGJJSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-14-6-7-15-8-2-4-9(5-3-8)16-10(11,12)13/h2-5,14H,6-7H2,1H3.
What are the key properties of N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine?
N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine has a molecular weight of 235.20 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine is sourced from PubChem (CID 18972791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).