N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine

C15H22F3N — CID 64715335

IUPACN-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCNC(C)CC(C)(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-5-19-11(2)10-14(3,4)12-8-6-7-9-13(12)15(16,17)18/h6-9,11,19H,5,10H2,1-4H3
InChIKeyRGMUJKMZURHQHO-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.37
Rot. Bonds5

About N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine

N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 64715335) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID64715335
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCNC(C)CC(C)(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-5-19-11(2)10-14(3,4)12-8-6-7-9-13(12)15(16,17)18/h6-9,11,19H,5,10H2,1-4H3
InChIKeyRGMUJKMZURHQHO-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 64718083
1-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)benzene
CID 64715364
(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 95029864
3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 81022627
1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 54002630
N-ethyl-4-methyl-4-quinolin-5-ylpentan-2-amine
CID 81221548
4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 79739119
4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64717224
N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63561717
N-[(4-iodophenyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853842
N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
CID 64716808
4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine
CID 107290258

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine (CID 64715335) is N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine is CCNC(C)CC(C)(C)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is RGMUJKMZURHQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-5-19-11(2)10-14(3,4)12-8-6-7-9-13(12)15(16,17)18/h6-9,11,19H,5,10H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine?
N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 64715335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).