[1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine

C12H15F3N2 — CID 3072417

IUPAC[1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-3-1-4-10(7-9)17-6-2-5-11(17)8-16/h1,3-4,7,11H,2,5-6,8,16H2
InChIKeySXXLHIGUZCRTAP-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.63
Rot. Bonds2

About [1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine

[1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine (PubChem CID 3072417) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
PubChem CID3072417
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name[1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-3-1-4-10(7-9)17-6-2-5-11(17)8-16/h1,3-4,7,11H,2,5-6,8,16H2
InChIKeySXXLHIGUZCRTAP-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine (CID 3072417) is [1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of [1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine?
The InChIKey is SXXLHIGUZCRTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)9-3-1-4-10(7-9)17-6-2-5-11(17)8-16/h1,3-4,7,11H,2,5-6,8,16H2.
What are the key properties of [1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine?
[1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine has a molecular weight of 244.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 3072417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).