1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C13H18F3NO — CID 16785358

IUPAC1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCc1ccc(C(N)COCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-2-3-10-4-6-11(7-5-10)12(17)8-18-9-13(14,15)16/h4-7,12H,2-3,8-9,17H2,1H3
InChIKeyMATPWGMFQJUJPV-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.22
Rot. Bonds6

About 1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 16785358) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID16785358
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCc1ccc(C(N)COCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-2-3-10-4-6-11(7-5-10)12(17)8-18-9-13(14,15)16/h4-7,12H,2-3,8-9,17H2,1H3
InChIKeyMATPWGMFQJUJPV-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 16785358) is 1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCCc1ccc(C(N)COCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is MATPWGMFQJUJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-2-3-10-4-6-11(7-5-10)12(17)8-18-9-13(14,15)16/h4-7,12H,2-3,8-9,17H2,1H3.
What are the key properties of 1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 261.29 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 16785358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).