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

C16H24F3NO — CID 105141501

IUPAC4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCCNC(CCCOCC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-3-10-20-15(9-6-11-21-4-2)13-7-5-8-14(12-13)16(17,18)19/h5,7-8,12,15,20H,3-4,6,9-11H2,1-2H3
InChIKeyOONJTISAGWDOQP-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.56
Rot. Bonds9

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

4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 105141501) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID105141501
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCCNC(CCCOCC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-3-10-20-15(9-6-11-21-4-2)13-7-5-8-14(12-13)16(17,18)19/h5,7-8,12,15,20H,3-4,6,9-11H2,1-2H3
InChIKeyOONJTISAGWDOQP-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.56
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-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112688216
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
N-[2-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64611916
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79178039
4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
CID 105144890
2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901091
N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64652133
N-[2-(2-methylpropylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64610296

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine (CID 105141501) is 4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine is CCCNC(CCCOCC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is OONJTISAGWDOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-3-10-20-15(9-6-11-21-4-2)13-7-5-8-14(12-13)16(17,18)19/h5,7-8,12,15,20H,3-4,6,9-11H2,1-2H3.
What are the key properties of 4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 105141501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).