9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H26ClF3N2O2 — CID 120992602

IUPAC9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C19H25F3N2O2.ClH/c1-24(11-12-4-2-7-16(8-12)26-19(20,21)22)18(25)15-9-13-5-3-6-14(10-15)17(13)23;/h2,4,7-8,13-15,17H,3,5-6,9-11,23H2,1H3;1H
InChIKeyZXDQUFPJTXXQEI-UHFFFAOYSA-N
MW406.88 g/mol
LogP4.12
Rot. Bonds4

About 9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120992602) has the molecular formula C19H26ClF3N2O2 and a molecular weight of 406.88 g/mol. Its IUPAC name is 9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120992602
Molecular FormulaC19H26ClF3N2O2
Molecular Weight406.88 g/mol
Exact Mass406.16
IUPAC Name9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C19H25F3N2O2.ClH/c1-24(11-12-4-2-7-16(8-12)26-19(20,21)22)18(25)15-9-13-5-3-6-14(10-15)17(13)23;/h2,4,7-8,13-15,17H,3,5-6,9-11,23H2,1H3;1H
InChIKeyZXDQUFPJTXXQEI-UHFFFAOYSA-N
XLogP4.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride 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

9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983691
9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985389
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119345501
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119345493
9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983505
(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796619
(1R,2R,4R)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98793069
9-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985748
3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119717344
1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119822061
9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983469
(2R)-2-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119345497

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120992602) is 9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is ZXDQUFPJTXXQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2.ClH/c1-24(11-12-4-2-7-16(8-12)26-19(20,21)22)18(25)15-9-13-5-3-6-14(10-15)17(13)23;/h2,4,7-8,13-15,17H,3,5-6,9-11,23H2,1H3;1H.
What are the key properties of 9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 406.88 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120992602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).