2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine

C16H24F3NO — CID 106706027

IUPAC2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
SMILESCCCNCC(CC)(COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H24F3NO/c1-3-10-20-11-15(4-2,12-21-13-16(17,18)19)14-8-6-5-7-9-14/h5-9,20H,3-4,10-13H2,1-2H3
InChIKeyFOMGTIYZTSGCPN-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.91
Rot. Bonds9

About 2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine

2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine (PubChem CID 106706027) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
PubChem CID106706027
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
SMILESCCCNCC(CC)(COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H24F3NO/c1-3-10-20-11-15(4-2,12-21-13-16(17,18)19)14-8-6-5-7-9-14/h5-9,20H,3-4,10-13H2,1-2H3
InChIKeyFOMGTIYZTSGCPN-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine?
The IUPAC name of 2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine (CID 106706027) is 2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine.
What is the SMILES notation for 2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine?
The canonical SMILES for 2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine is CCCNCC(CC)(COCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine?
The InChIKey is FOMGTIYZTSGCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-3-10-20-11-15(4-2,12-21-13-16(17,18)19)14-8-6-5-7-9-14/h5-9,20H,3-4,10-13H2,1-2H3.
What are the key properties of 2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine?
2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine is sourced from PubChem (CID 106706027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).