1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine

C14H19F3N2 — CID 55025121

IUPAC1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
SMILESFC(F)(F)CCNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)7-8-18-13-6-9-19(11-13)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2
InChIKeyHOARJRDCXFXHRQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.80
Rot. Bonds5

About 1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine

1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine (PubChem CID 55025121) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
PubChem CID55025121
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
SMILESFC(F)(F)CCNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)7-8-18-13-6-9-19(11-13)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2
InChIKeyHOARJRDCXFXHRQ-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
1-benzyl-N-pent-3-ynylpyrrolidin-3-amine
CID 116642852
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine
CID 103709840
1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol
CID 103709849
3-[2-[(1-benzylpyrrolidin-3-yl)amino]ethyl]-1,1-dimethylurea
CID 83108275

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine (CID 55025121) is 1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine is FC(F)(F)CCNC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
The InChIKey is HOARJRDCXFXHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)7-8-18-13-6-9-19(11-13)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2.
What are the key properties of 1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine has a molecular weight of 272.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine is sourced from PubChem (CID 55025121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).