1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine

C12H15F3N2O — CID 103840745

IUPAC1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)18-11-3-1-2-9(6-11)7-17-5-4-10(16)8-17/h1-3,6,10H,4-5,7-8,16H2
InChIKeyTZQAXCIJUJOJPB-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.12
Rot. Bonds3

About 1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine

1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 103840745) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
PubChem CID103840745
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)18-11-3-1-2-9(6-11)7-17-5-4-10(16)8-17/h1-3,6,10H,4-5,7-8,16H2
InChIKeyTZQAXCIJUJOJPB-UHFFFAOYSA-N
XLogP2.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
CID 97160311
1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 138381001
[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea
CID 75439246
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
(3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 162331548
7-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75515100
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
CID 174928959
CID 174928959
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine (CID 103840745) is 1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine is NC1CCN(Cc2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is TZQAXCIJUJOJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)18-11-3-1-2-9(6-11)7-17-5-4-10(16)8-17/h1-3,6,10H,4-5,7-8,16H2.
What are the key properties of 1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine?
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 260.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 103840745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).