4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine

C15H22F3NO — CID 105141419

IUPAC4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCNC(CCCOCC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-3-19-14(9-6-10-20-4-2)12-7-5-8-13(11-12)15(16,17)18/h5,7-8,11,14,19H,3-4,6,9-10H2,1-2H3
InChIKeyCRIDVEGRRCHMPO-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.17
Rot. Bonds8

About 4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine

4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 105141419) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID105141419
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCNC(CCCOCC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-3-19-14(9-6-10-20-4-2)12-7-5-8-13(11-12)15(16,17)18/h5,7-8,11,14,19H,3-4,6,9-10H2,1-2H3
InChIKeyCRIDVEGRRCHMPO-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697
3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112688216
N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 105141438
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901091
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 116716969
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 64535416
N-ethyl-3-(oxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 65166820
N-ethyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-amine
CID 115854010
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine (CID 105141419) is 4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine is CCNC(CCCOCC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is CRIDVEGRRCHMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-3-19-14(9-6-10-20-4-2)12-7-5-8-13(11-12)15(16,17)18/h5,7-8,11,14,19H,3-4,6,9-10H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 105141419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).