2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine

C14H19F3N2 — CID 54881939

IUPAC2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CCCN1C(CN)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2/c1-10-5-4-8-19(10)13(9-18)11-6-2-3-7-12(11)14(15,16)17/h2-3,6-7,10,13H,4-5,8-9,18H2,1H3
InChIKeyDKAVKVKVQVZOSZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.19
Rot. Bonds3

About 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine

2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 54881939) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID54881939
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CCCN1C(CN)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2/c1-10-5-4-8-19(10)13(9-18)11-6-2-3-7-12(11)14(15,16)17/h2-3,6-7,10,13H,4-5,8-9,18H2,1H3
InChIKeyDKAVKVKVQVZOSZ-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine (CID 54881939) is 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine is CC1CCCN1C(CN)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is DKAVKVKVQVZOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-10-5-4-8-19(10)13(9-18)11-6-2-3-7-12(11)14(15,16)17/h2-3,6-7,10,13H,4-5,8-9,18H2,1H3.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 272.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 54881939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).