(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride

C12H16ClF3N2 — CID 119905166

IUPAC(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H15F3N2.ClH/c13-12(14,15)10-3-1-2-9(6-10)7-17-5-4-11(16)8-17;/h1-3,6,11H,4-5,7-8,16H2;1H/t11-;/m1./s1
InChIKeySWBQFGIYXMDSLA-RFVHGSKJSA-N
MW280.72 g/mol
LogP2.66
Rot. Bonds2

About (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride

(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119905166) has the molecular formula C12H16ClF3N2 and a molecular weight of 280.72 g/mol. Its IUPAC name is (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119905166
Molecular FormulaC12H16ClF3N2
Molecular Weight280.72 g/mol
Exact Mass280.10
IUPAC Name(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H15F3N2.ClH/c13-12(14,15)10-3-1-2-9(6-10)7-17-5-4-11(16)8-17;/h1-3,6,11H,4-5,7-8,16H2;1H/t11-;/m1./s1
InChIKeySWBQFGIYXMDSLA-RFVHGSKJSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 80677072
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 52878093
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
1-(3-aminopyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119482994
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512867
1-[[3-(trifluoromethyl)phenyl]methyl]azetidine-3-thiol
CID 86226767

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride (CID 119905166) is (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is SWBQFGIYXMDSLA-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H15F3N2.ClH/c13-12(14,15)10-3-1-2-9(6-10)7-17-5-4-11(16)8-17;/h1-3,6,11H,4-5,7-8,16H2;1H/t11-;/m1./s1.
What are the key properties of (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 280.72 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119905166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).