2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine

C11H21F3N2 — CID 62514056

IUPAC2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-10(2,3)15-6-9-4-5-16(7-9)8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyRVDKVAMYBBDWOX-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds3

About 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 62514056) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID62514056
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-10(2,3)15-6-9-4-5-16(7-9)8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyRVDKVAMYBBDWOX-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 62514056) is 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)(C)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is RVDKVAMYBBDWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-10(2,3)15-6-9-4-5-16(7-9)8-11(12,13)14/h9,15H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62514056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).