N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine

C15H23F3N2O — CID 62426739

IUPACN-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCN(C)CC(F)(F)F
InChIInChI=1S/C15H23F3N2O/c1-3-8-19-11-13-6-4-5-7-14(13)21-10-9-20(2)12-15(16,17)18/h4-7,19H,3,8-12H2,1-2H3
InChIKeyCKCFKKGADASRJF-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.06
Rot. Bonds9

About N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine

N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 62426739) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine
PubChem CID62426739
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCN(C)CC(F)(F)F
InChIInChI=1S/C15H23F3N2O/c1-3-8-19-11-13-6-4-5-7-14(13)21-10-9-20(2)12-15(16,17)18/h4-7,19H,3,8-12H2,1-2H3
InChIKeyCKCFKKGADASRJF-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62420921
N'-methyl-N-[(2-prop-2-ynoxyphenyl)methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119111480
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892311
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methylbutan-1-amine
CID 62425318
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62455849
2-methyl-N-[[2-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62418298
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-1-amine
CID 63190777
N'-methyl-N'-(2,2,2-trifluoroethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 130272670
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N-[[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695788
N-[(2-ethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844288

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine (CID 62426739) is N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCCN(C)CC(F)(F)F.
What is the InChIKey of N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is CKCFKKGADASRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-3-8-19-11-13-6-4-5-7-14(13)21-10-9-20(2)12-15(16,17)18/h4-7,19H,3,8-12H2,1-2H3.
What are the key properties of N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 304.36 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62426739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).