2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine

C15H22F3NO — CID 105349058

IUPAC2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-12(2)9-19-8-7-13-3-5-14(6-4-13)10-20-11-15(16,17)18/h3-6,12,19H,7-11H2,1-2H3
InChIKeyPETNYMCWLYAPIC-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.55
Rot. Bonds8

About 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine

2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine (PubChem CID 105349058) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine
PubChem CID105349058
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-12(2)9-19-8-7-13-3-5-14(6-4-13)10-20-11-15(16,17)18/h3-6,12,19H,7-11H2,1-2H3
InChIKeyPETNYMCWLYAPIC-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.55
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-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine
CID 105349086
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-1-amine
CID 105350635
N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 105349885
2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine
CID 103285685
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107456800
N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349604
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073203
N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 62443882
2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen
CID 162110606
2-methyl-N-[3-[5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 103213243
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine (CID 105349058) is 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine is CC(C)CNCCc1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is PETNYMCWLYAPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-12(2)9-19-8-7-13-3-5-14(6-4-13)10-20-11-15(16,17)18/h3-6,12,19H,7-11H2,1-2H3.
What are the key properties of 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine?
2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 105349058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).