N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine

C13H18F3N3 — CID 28819878

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCN1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H18F3N3/c1-2-19-7-3-4-11(19)9-18-12-6-5-10(8-17-12)13(14,15)16/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyRJDOUSYOOIZENO-NSHDSACASA-N
MW273.30 g/mol
LogP3.00
Rot. Bonds4

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 28819878) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID28819878
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCN1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H18F3N3/c1-2-19-7-3-4-11(19)9-18-12-6-5-10(8-17-12)13(14,15)16/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyRJDOUSYOOIZENO-NSHDSACASA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
tert-butyl 2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carboxylate;ethane
CID 155735409
tert-butyl (2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 170977694
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine
CID 170925579
N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 155378449
2-[2-[2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938039
[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 131923003
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 61208136
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80777612
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 65485563
5-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026754

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 28819878) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine is CCN1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RJDOUSYOOIZENO-NSHDSACASA-N. The full InChI is InChI=1S/C13H18F3N3/c1-2-19-7-3-4-11(19)9-18-12-6-5-10(8-17-12)13(14,15)16/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 28819878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).