N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine

C18H27F3N2O — CID 24879001

IUPACN-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCCN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1
InChIInChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-6-3-7-12-23)13-10-16-8-4-5-9-17(16)24-18(19,20)21/h4-5,8-9H,2-3,6-7,10-15H2,1H3
InChIKeyGYJUQRIRWMPONQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.94
Rot. Bonds8

About N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine

N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 24879001) has the molecular formula C18H27F3N2O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID24879001
Molecular FormulaC18H27F3N2O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC NameN-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCCN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1
InChIInChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-6-3-7-12-23)13-10-16-8-4-5-9-17(16)24-18(19,20)21/h4-5,8-9H,2-3,6-7,10-15H2,1H3
InChIKeyGYJUQRIRWMPONQ-UHFFFAOYSA-N
XLogP3.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 24879056
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 166194807
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
CID 83006472
N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
CID 79662487
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
2-methyl-1-(4-pyrrolidin-1-ylbutyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111847619
3-(2-methoxyphenyl)-N-methyl-N-(2-piperidin-1-ylethyl)propanamide
CID 110753414
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine (CID 24879001) is N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine is CCN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1.
What is the InChIKey of N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is GYJUQRIRWMPONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-6-3-7-12-23)13-10-16-8-4-5-9-17(16)24-18(19,20)21/h4-5,8-9H,2-3,6-7,10-15H2,1H3.
What are the key properties of N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine?
N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 344.42 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 24879001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).