2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C15H22F3NO — CID 106705873

IUPAC2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCNCC(COCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C15H22F3NO/c1-2-8-19-10-14(11-20-12-15(16,17)18)9-13-6-4-3-5-7-13/h3-7,14,19H,2,8-12H2,1H3
InChIKeyORUHYQPJDFCIGE-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.42
Rot. Bonds9

About 2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 106705873) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID106705873
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCNCC(COCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C15H22F3NO/c1-2-8-19-10-14(11-20-12-15(16,17)18)9-13-6-4-3-5-7-13/h3-7,14,19H,2,8-12H2,1H3
InChIKeyORUHYQPJDFCIGE-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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

2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705871
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214527
2-benzyl-N-propylheptan-1-amine
CID 63496184
N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705903
2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 65430048
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 113361847
[1-phenyl-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217246
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 106930624
2-benzyl-N-ethyl-3-methoxypropan-1-amine
CID 103984212
2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 113361832
2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361817

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 106705873) is 2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCCNCC(COCC(F)(F)F)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is ORUHYQPJDFCIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-2-8-19-10-14(11-20-12-15(16,17)18)9-13-6-4-3-5-7-13/h3-7,14,19H,2,8-12H2,1H3.
What are the key properties of 2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 106705873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).