2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine

C14H19F3N2O2 — CID 107104696

IUPAC2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESCOC1CCN(C(CN)c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C14H19F3N2O2/c1-20-12-5-6-19(9-12)13(8-18)10-3-2-4-11(7-10)21-14(15,16)17/h2-4,7,12-13H,5-6,8-9,18H2,1H3
InChIKeyUTQJJDBDFDFLAP-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.31
Rot. Bonds5

About 2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine

2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 107104696) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
PubChem CID107104696
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESCOC1CCN(C(CN)c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C14H19F3N2O2/c1-20-12-5-6-19(9-12)13(8-18)10-3-2-4-11(7-10)21-14(15,16)17/h2-4,7,12-13H,5-6,8-9,18H2,1H3
InChIKeyUTQJJDBDFDFLAP-UHFFFAOYSA-N
XLogP2.31
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
CID 115526779
2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102965130
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
2-(3-methylthiomorpholin-4-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 107104647
2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531609
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166417
2-(furan-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530810
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine
CID 171310343
2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine
CID 83978033
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 65096664

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine (CID 107104696) is 2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine is COC1CCN(C(CN)c2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is UTQJJDBDFDFLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-20-12-5-6-19(9-12)13(8-18)10-3-2-4-11(7-10)21-14(15,16)17/h2-4,7,12-13H,5-6,8-9,18H2,1H3.
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine?
2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 304.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 107104696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).