(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride

C15H20ClF3N2O3 — CID 120796619

IUPAC(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
SMILESCN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C15H19F3N2O3.ClH/c1-20(14(21)13-6-5-12(8-19)22-13)9-10-3-2-4-11(7-10)23-15(16,17)18;/h2-4,7,12-13H,5-6,8-9,19H2,1H3;1H/t12-,13+;/m1./s1
InChIKeyLUFQJYQHAZEVFU-KZCZEQIWSA-N
MW368.78 g/mol
LogP2.47
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120796619) has the molecular formula C15H20ClF3N2O3 and a molecular weight of 368.78 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120796619
Molecular FormulaC15H20ClF3N2O3
Molecular Weight368.78 g/mol
Exact Mass368.11
IUPAC Name(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
SMILESCN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C15H19F3N2O3.ClH/c1-20(14(21)13-6-5-12(8-19)22-13)9-10-3-2-4-11(7-10)23-15(16,17)18;/h2-4,7,12-13H,5-6,8-9,19H2,1H3;1H/t12-,13+;/m1./s1
InChIKeyLUFQJYQHAZEVFU-KZCZEQIWSA-N
XLogP2.47
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 120786862
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 120783700
(1R,2R,4R)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98793069
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119345493
9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992602
3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119345484
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119345501
(2S,5R)-5-(aminomethyl)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyloxolane-2-carboxamide
CID 120789020
1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119822061
(2R)-2-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119345497
(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120793465
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
CID 120787294

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride (CID 120796619) is (2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride is CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1CC[C@H](CN)O1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is LUFQJYQHAZEVFU-KZCZEQIWSA-N. The full InChI is InChI=1S/C15H19F3N2O3.ClH/c1-20(14(21)13-6-5-12(8-19)22-13)9-10-3-2-4-11(7-10)23-15(16,17)18;/h2-4,7,12-13H,5-6,8-9,19H2,1H3;1H/t12-,13+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 368.78 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120796619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).