1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C14H20F3NO2 — CID 63828903

IUPAC1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCC(NCCOCC(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C14H20F3NO2/c1-3-13(11-4-6-12(19-2)7-5-11)18-8-9-20-10-14(15,16)17/h4-7,13,18H,3,8-10H2,1-2H3
InChIKeyKCJCCNZOKPPYJH-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.31
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 63828903) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID63828903
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCC(NCCOCC(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C14H20F3NO2/c1-3-13(11-4-6-12(19-2)7-5-11)18-8-9-20-10-14(15,16)17/h4-7,13,18H,3,8-10H2,1-2H3
InChIKeyKCJCCNZOKPPYJH-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.31
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-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
CID 81342777
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81370484
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
N-(2-cyclohexyloxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 63826934
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43207314
1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63827650
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 115899650
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 63828903) is 1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCC(NCCOCC(F)(F)F)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is KCJCCNZOKPPYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-3-13(11-4-6-12(19-2)7-5-11)18-8-9-20-10-14(15,16)17/h4-7,13,18H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 291.31 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 63828903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).