(3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C18H20F3N3 — CID 97230742

IUPAC(3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESFC(F)(F)CN1CC[C@H](N[C@H](c2ccccc2)c2ccncc2)C1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)13-24-11-8-16(12-24)23-17(14-4-2-1-3-5-14)15-6-9-22-10-7-15/h1-7,9-10,16-17,23H,8,11-13H2/t16-,17+/m0/s1
InChIKeyKFUKSQNHQYUDPH-DLBZAZTESA-N
MW335.37 g/mol
LogP3.40
Rot. Bonds5

About (3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

(3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 97230742) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is (3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID97230742
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC Name(3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESFC(F)(F)CN1CC[C@H](N[C@H](c2ccccc2)c2ccncc2)C1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)13-24-11-8-16(12-24)23-17(14-4-2-1-3-5-14)15-6-9-22-10-7-15/h1-7,9-10,16-17,23H,8,11-13H2/t16-,17+/m0/s1
InChIKeyKFUKSQNHQYUDPH-DLBZAZTESA-N
XLogP3.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide
CID 94770331
(2R)-2-phenyl-2-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide
CID 94770337
1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine
CID 61210102
N-benzhydryl-1-ethylpiperidin-4-amine
CID 3821522
N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43769154
furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone
CID 97321950
N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95571044
1-(1-benzylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48953524
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81369741
1-[2-(dimethylamino)-2-phenylethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111914923
1-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855968

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 97230742) is (3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is FC(F)(F)CN1CC[C@H](N[C@H](c2ccccc2)c2ccncc2)C1.
What is the InChIKey of (3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is KFUKSQNHQYUDPH-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20F3N3/c19-18(20,21)13-24-11-8-16(12-24)23-17(14-4-2-1-3-5-14)15-6-9-22-10-7-15/h1-7,9-10,16-17,23H,8,11-13H2/t16-,17+/m0/s1.
What are the key properties of (3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
(3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 335.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 97230742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).