(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid

C14H19F3N2O2 — CID 146421740

IUPAC(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESC[C@H](c1ccccc1)N1CC[C@H](N)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H18N2.C2HF3O2/c1-10(11-5-3-2-4-6-11)14-8-7-12(13)9-14;3-2(4,5)1(6)7/h2-6,10,12H,7-9,13H2,1H3;(H,6,7)/t10-,12+;/m1./s1
InChIKeyGQOMRLLFJCWZBN-IYJPBCIQSA-N
MW304.31 g/mol
LogP2.41
Rot. Bonds2

About (3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid

(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 146421740) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is (3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID146421740
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESC[C@H](c1ccccc1)N1CC[C@H](N)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H18N2.C2HF3O2/c1-10(11-5-3-2-4-6-11)14-8-7-12(13)9-14;3-2(4,5)1(6)7/h2-6,10,12H,7-9,13H2,1H3;(H,6,7)/t10-,12+;/m1./s1
InChIKeyGQOMRLLFJCWZBN-IYJPBCIQSA-N
XLogP2.41
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-N'-[3-(benzylamino)propyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 44372225
1-hexyl-N-[(4-methylphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536500
1-hexyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536502
1-hexyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536504
(S)-Pyrrolidin-3-yl-(2-trifluoromethyl-benzyl)-carbamic acid ethyl ester
CID 44578372
(S)-N-(2,4-difluorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 44578113
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-hexylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536490
N'-benzyl-N'-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine;2,2,2-trifluoroacetic acid
CID 49796788
1-Benzyl-3-(trifluoroacetamido)pyrrolidine
CID 2735993
tert-Butyl (2S,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 97749319
(3-Aminopropyl)dibenzylamine; trifluoroacetic acid
CID 49796754
N',N'-dibenzylbutane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 49796800

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid (CID 146421740) is (3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid is C[C@H](c1ccccc1)N1CC[C@H](N)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GQOMRLLFJCWZBN-IYJPBCIQSA-N. The full InChI is InChI=1S/C12H18N2.C2HF3O2/c1-10(11-5-3-2-4-6-11)14-8-7-12(13)9-14;3-2(4,5)1(6)7/h2-6,10,12H,7-9,13H2,1H3;(H,6,7)/t10-,12+;/m1./s1.
What are the key properties of (3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 304.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146421740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).