N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine

C14H19F4NO — CID 102747632

IUPACN-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine
SMILESCCCC(C)NCCOc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F4NO/c1-3-4-10(2)19-7-8-20-11-5-6-13(15)12(9-11)14(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3
InChIKeyZRBNIWMWSFKBKA-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.00
Rot. Bonds7

About N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine

N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine (PubChem CID 102747632) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine
PubChem CID102747632
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC NameN-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine
SMILESCCCC(C)NCCOc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F4NO/c1-3-4-10(2)19-7-8-20-11-5-6-13(15)12(9-11)14(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3
InChIKeyZRBNIWMWSFKBKA-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chloro-4-fluorophenoxy)ethyl]pentan-2-amine
CID 62598050
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 102747179
2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
CID 102747527
N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine
CID 62599636
N-[2-(4-bromo-3-methylphenoxy)ethyl]pentan-2-amine
CID 83140018
2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
CID 102747534
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 102747539
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine
CID 102747436
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine
CID 102747245
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]pentan-2-amine
CID 63505239
1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine?
The IUPAC name of N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine (CID 102747632) is N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine?
The canonical SMILES for N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine is CCCC(C)NCCOc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine?
The InChIKey is ZRBNIWMWSFKBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-3-4-10(2)19-7-8-20-11-5-6-13(15)12(9-11)14(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine?
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine has a molecular weight of 293.30 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine is sourced from PubChem (CID 102747632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).