(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine

C11H14F3N3 — CID 125439521

IUPAC(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)10-2-1-8(5-16-10)6-17-4-3-9(15)7-17/h1-2,5,9H,3-4,6-7,15H2/t9-/m1/s1
InChIKeyUVUGZJJONNMFLC-SECBINFHSA-N
MW245.25 g/mol
LogP1.63
Rot. Bonds2

About (3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine

(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine (PubChem CID 125439521) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is (3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine
PubChem CID125439521
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)10-2-1-8(5-16-10)6-17-4-3-9(15)7-17/h1-2,5,9H,3-4,6-7,15H2/t9-/m1/s1
InChIKeyUVUGZJJONNMFLC-SECBINFHSA-N
XLogP1.63
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850
N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171996048
5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141220850
2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine
CID 125438590
N-[[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]methyl]but-3-enamide
CID 95199125
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
(3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
CID 120836248
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine
CID 120837543
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine (CID 125439521) is (3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine is N[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of (3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine?
The InChIKey is UVUGZJJONNMFLC-SECBINFHSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)10-2-1-8(5-16-10)6-17-4-3-9(15)7-17/h1-2,5,9H,3-4,6-7,15H2/t9-/m1/s1.
What are the key properties of (3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine?
(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine has a molecular weight of 245.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 125439521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).