(1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine

C14H20F3NO2 — CID 63639457

IUPAC(1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
SMILESCc1ccc([C@@H](C)N)c(OCCCOCC(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2/c1-10-4-5-12(11(2)18)13(8-10)20-7-3-6-19-9-14(15,16)17/h4-5,8,11H,3,6-7,9,18H2,1-2H3/t11-/m1/s1
InChIKeyPJRSSYRVPWMXRD-LLVKDONJSA-N
MW291.31 g/mol
LogP3.36
Rot. Bonds7

About (1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine

(1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine (PubChem CID 63639457) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
PubChem CID63639457
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name(1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
SMILESCc1ccc([C@@H](C)N)c(OCCCOCC(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2/c1-10-4-5-12(11(2)18)13(8-10)20-7-3-6-19-9-14(15,16)17/h4-5,8,11H,3,6-7,9,18H2,1-2H3/t11-/m1/s1
InChIKeyPJRSSYRVPWMXRD-LLVKDONJSA-N
XLogP3.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.36
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

(1S)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 78947557
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
(1R)-1-[5-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 78932807
2-[2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]ethoxy]ethanol
CID 63650862
2-[2-[2-(1-aminoethyl)-5-methylphenoxy]ethoxy]ethanol
CID 63639091
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
(1S)-1-[4-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]ethanamine
CID 104891255
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
CID 78946993
2-bromo-4-methyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 54961869
(1S)-1-[2-(2-tert-butylsulfanylethoxy)-4-methylphenyl]ethanamine
CID 114271257
1-[4-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 102948521

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine (CID 63639457) is (1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine is Cc1ccc([C@@H](C)N)c(OCCCOCC(F)(F)F)c1.
What is the InChIKey of (1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine?
The InChIKey is PJRSSYRVPWMXRD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-10-4-5-12(11(2)18)13(8-10)20-7-3-6-19-9-14(15,16)17/h4-5,8,11H,3,6-7,9,18H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine?
(1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine has a molecular weight of 291.31 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine is sourced from PubChem (CID 63639457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).