N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine

C15H22F3NO — CID 105145424

IUPACN-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCNC(CCC(C)OC)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-4-19-14(10-9-11(2)20-3)12-7-5-6-8-13(12)15(16,17)18/h5-8,11,14,19H,4,9-10H2,1-3H3
InChIKeyRHFBYZRWGFSQIR-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.17
Rot. Bonds7

About N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine

N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine (PubChem CID 105145424) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine
PubChem CID105145424
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCNC(CCC(C)OC)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-4-19-14(10-9-11(2)20-3)12-7-5-6-8-13(12)15(16,17)18/h5-8,11,14,19H,4,9-10H2,1-3H3
InChIKeyRHFBYZRWGFSQIR-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507
N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 104987286
N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128216
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 105141438
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 105180487
N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63561717
1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249
N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine
CID 102840306
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105187250
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105167364

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine (CID 105145424) is N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine is CCNC(CCC(C)OC)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine?
The InChIKey is RHFBYZRWGFSQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-19-14(10-9-11(2)20-3)12-7-5-6-8-13(12)15(16,17)18/h5-8,11,14,19H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine?
N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine is sourced from PubChem (CID 105145424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).