N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine

C17H25F3N2O — CID 24879056

IUPACN-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESCCN(CCc1cccc(OC(F)(F)F)c1)CCN1CCCC1
InChIInChI=1S/C17H25F3N2O/c1-2-21(12-13-22-9-3-4-10-22)11-8-15-6-5-7-16(14-15)23-17(18,19)20/h5-7,14H,2-4,8-13H2,1H3
InChIKeyBQYHDNIHHQQZPU-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.55
Rot. Bonds8

About N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine

N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 24879056) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
PubChem CID24879056
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC NameN-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESCCN(CCc1cccc(OC(F)(F)F)c1)CCN1CCCC1
InChIInChI=1S/C17H25F3N2O/c1-2-21(12-13-22-9-3-4-10-22)11-8-15-6-5-7-16(14-15)23-17(18,19)20/h5-7,14H,2-4,8-13H2,1H3
InChIKeyBQYHDNIHHQQZPU-UHFFFAOYSA-N
XLogP3.55
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
CID 24879001
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole
CID 123966991
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine;ethane
CID 143170220
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 143169976
1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 110930765
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide
CID 142864877
1-(3-chlorobutyl)-3-(trifluoromethoxy)benzene
CID 64515626
1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
CID 64513226

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine (CID 24879056) is N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine is CCN(CCc1cccc(OC(F)(F)F)c1)CCN1CCCC1.
What is the InChIKey of N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is BQYHDNIHHQQZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-2-21(12-13-22-9-3-4-10-22)11-8-15-6-5-7-16(14-15)23-17(18,19)20/h5-7,14H,2-4,8-13H2,1H3.
What are the key properties of N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine?
N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 330.39 g/mol, XLogP of 3.55, 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-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 24879056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).