N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline

C15H21F3N2 — CID 62312591

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCC(C)N1CCC(CNc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-11(2)20-8-7-12(10-20)9-19-14-6-4-3-5-13(14)15(16,17)18/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyLLTQKKRZSUOZBM-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.85
Rot. Bonds4

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 62312591) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID62312591
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCC(C)N1CCC(CNc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-11(2)20-8-7-12(10-20)9-19-14-6-4-3-5-13(14)15(16,17)18/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyLLTQKKRZSUOZBM-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline (CID 62312591) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline is CC(C)N1CCC(CNc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is LLTQKKRZSUOZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11(2)20-8-7-12(10-20)9-19-14-6-4-3-5-13(14)15(16,17)18/h3-6,11-12,19H,7-10H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 286.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 62312591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).