1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine

C14H20F3NO2 — CID 82790189

IUPAC1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
SMILESCCOc1ccccc1C(N)COCCCC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-2-20-13-7-4-3-6-11(13)12(18)10-19-9-5-8-14(15,16)17/h3-4,6-7,12H,2,5,8-10,18H2,1H3
InChIKeyGEYINRHDDAYNLV-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.44
Rot. Bonds8

About 1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine

1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine (PubChem CID 82790189) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
PubChem CID82790189
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
SMILESCCOc1ccccc1C(N)COCCCC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-2-20-13-7-4-3-6-11(13)12(18)10-19-9-5-8-14(15,16)17/h3-4,6-7,12H,2,5,8-10,18H2,1H3
InChIKeyGEYINRHDDAYNLV-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 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 ≤ 53.44
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

1-(2-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82788381
(1S)-1-(2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171221760
1-naphthalen-1-yl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82781742
(1S)-1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 78932925
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 61491479
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
(1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014750
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine (CID 82790189) is 1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine is CCOc1ccccc1C(N)COCCCC(F)(F)F.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine?
The InChIKey is GEYINRHDDAYNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-2-20-13-7-4-3-6-11(13)12(18)10-19-9-5-8-14(15,16)17/h3-4,6-7,12H,2,5,8-10,18H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine?
1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine has a molecular weight of 291.31 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine is sourced from PubChem (CID 82790189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).