N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine

C13H18F3NO — CID 114079130

IUPACN-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-3-12(17-4-2)10-6-5-7-11(8-10)18-9-13(14,15)16/h5-8,12,17H,3-4,9H2,1-2H3
InChIKeyPPDXDHICTUFXKB-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.69
Rot. Bonds6

About N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine

N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine (PubChem CID 114079130) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine
PubChem CID114079130
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-3-12(17-4-2)10-6-5-7-11(8-10)18-9-13(14,15)16/h5-8,12,17H,3-4,9H2,1-2H3
InChIKeyPPDXDHICTUFXKB-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(3-ethoxyphenyl)-N-ethylethanamine
CID 79574698
N-ethyl-N',N'-dimethyl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 79093108
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216427
2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol
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N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
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1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine
CID 62309984
N-ethyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-amine
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N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
CID 65234778
N-ethyl-1-[3-(trifluoromethoxy)phenyl]heptan-1-amine
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1,1,1-trifluoro-3-[[(3-phenoxyphenyl)-[3-(2,2,2-trifluoroethoxy)phenyl]methyl]amino]propan-2-ol
CID 87792580

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine (CID 114079130) is N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine is CCNC(CC)c1cccc(OCC(F)(F)F)c1.
What is the InChIKey of N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine?
The InChIKey is PPDXDHICTUFXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-12(17-4-2)10-6-5-7-11(8-10)18-9-13(14,15)16/h5-8,12,17H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine?
N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 114079130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).