N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine

C15H22F3N — CID 66204154

IUPACN-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine
SMILESCCNC(C)(c1ccc(CC(C)C)cc1)C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-5-19-14(4,15(16,17)18)13-8-6-12(7-9-13)10-11(2)3/h6-9,11,19H,5,10H2,1-4H3
InChIKeyIVAMZDGWHYITPL-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.27
Rot. Bonds5

About N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine

N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine (PubChem CID 66204154) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine
PubChem CID66204154
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine
SMILESCCNC(C)(c1ccc(CC(C)C)cc1)C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-5-19-14(4,15(16,17)18)13-8-6-12(7-9-13)10-11(2)3/h6-9,11,19H,5,10H2,1-4H3
InChIKeyIVAMZDGWHYITPL-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 61050325
1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine
CID 66205585
1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 80604999
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593
2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde
CID 105465847
(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
CID 97294137
1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62773408
1-tert-butyl-4-(2-methylpropyl)benzene;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene
CID 142606160
1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene
CID 116841647
bis(4-tert-butylphenyl)-[4-(2-methylpropyl)phenyl]sulfanium
CID 58260924

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine (CID 66204154) is N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine is CCNC(C)(c1ccc(CC(C)C)cc1)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine?
The InChIKey is IVAMZDGWHYITPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-5-19-14(4,15(16,17)18)13-8-6-12(7-9-13)10-11(2)3/h6-9,11,19H,5,10H2,1-4H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine?
N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine is sourced from PubChem (CID 66204154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).