2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C15H22F3NO — CID 65430048

IUPAC2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCCNCC(CCOCC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H22F3NO/c1-2-9-19-11-14(13-6-4-3-5-7-13)8-10-20-12-15(16,17)18/h3-7,14,19H,2,8-12H2,1H3
InChIKeyNQBJORCOBWVUJG-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.74
Rot. Bonds9

About 2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 65430048) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID65430048
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCCNCC(CCOCC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H22F3NO/c1-2-9-19-11-14(13-6-4-3-5-7-13)8-10-20-12-15(16,17)18/h3-7,14,19H,2,8-12H2,1H3
InChIKeyNQBJORCOBWVUJG-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.74
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

N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79436142
2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457125
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
2-(3-fluorophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79432439
2-phenyl-N-propylnonan-1-amine
CID 65429485
N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591
2-phenyl-N-(2-undecoxyethyl)hexan-1-amine
CID 22091448
2-(4-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79431850
4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine
CID 79436715
3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83139215
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705873

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 65430048) is 2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CCCNCC(CCOCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is NQBJORCOBWVUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-2-9-19-11-14(13-6-4-3-5-7-13)8-10-20-12-15(16,17)18/h3-7,14,19H,2,8-12H2,1H3.
What are the key properties of 2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.74, 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-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 65430048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).