1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine

C15H21F3N2 — CID 66480329

IUPAC1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCCN1CCC(Nc2cc(C(F)(F)F)ccc2C)CC1
InChIInChI=1S/C15H21F3N2/c1-3-20-8-6-13(7-9-20)19-14-10-12(15(16,17)18)5-4-11(14)2/h4-5,10,13,19H,3,6-9H2,1-2H3
InChIKeyPASGWEFGISGSHJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.91
Rot. Bonds3

About 1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine

1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 66480329) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID66480329
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCCN1CCC(Nc2cc(C(F)(F)F)ccc2C)CC1
InChIInChI=1S/C15H21F3N2/c1-3-20-8-6-13(7-9-20)19-14-10-12(15(16,17)18)5-4-11(14)2/h4-5,10,13,19H,3,6-9H2,1-2H3
InChIKeyPASGWEFGISGSHJ-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine
CID 66479132
3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
CID 43726870
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine
CID 43714560
6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 106193705
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine
CID 62816568
1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine
CID 65072745
N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine
CID 65072468
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
N-(5-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65072389
1-ethyl-N-(2,4,6-trimethylphenyl)piperidin-4-amine
CID 54861532
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 43714555

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine (CID 66480329) is 1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine is CCN1CCC(Nc2cc(C(F)(F)F)ccc2C)CC1.
What is the InChIKey of 1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is PASGWEFGISGSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-3-20-8-6-13(7-9-20)19-14-10-12(15(16,17)18)5-4-11(14)2/h4-5,10,13,19H,3,6-9H2,1-2H3.
What are the key properties of 1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine?
1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 66480329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).