3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride

C19H22ClF3N2O2 — CID 119712578

IUPAC3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
SMILESCC(C(=O)NCc1cccc(OCC(F)(F)F)c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H21F3N2O2.ClH/c1-13(17(23)15-7-3-2-4-8-15)18(25)24-11-14-6-5-9-16(10-14)26-12-19(20,21)22;/h2-10,13,17H,11-12,23H2,1H3,(H,24,25);1H
InChIKeyKMEWHMBPUSHTGV-UHFFFAOYSA-N
MW402.84 g/mol
LogP4.00
Rot. Bonds7

About 3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride

3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119712578) has the molecular formula C19H22ClF3N2O2 and a molecular weight of 402.84 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
PubChem CID119712578
Molecular FormulaC19H22ClF3N2O2
Molecular Weight402.84 g/mol
Exact Mass402.13
IUPAC Name3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
SMILESCC(C(=O)NCc1cccc(OCC(F)(F)F)c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H21F3N2O2.ClH/c1-13(17(23)15-7-3-2-4-8-15)18(25)24-11-14-6-5-9-16(10-14)26-12-19(20,21)22;/h2-10,13,17H,11-12,23H2,1H3,(H,24,25);1H
InChIKeyKMEWHMBPUSHTGV-UHFFFAOYSA-N
XLogP4.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-3-phenyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 119699216
N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 55712296
3-amino-2-methyl-3-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119736709
3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 119700402
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888
3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714355
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
1-(4-hydroxy-3-methylbutan-2-yl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111454340
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 87005494
(2R)-3-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanoic acid
CID 120511530
2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol
CID 111421772
(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119315356

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride (CID 119712578) is 3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride is CC(C(=O)NCc1cccc(OCC(F)(F)F)c1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is KMEWHMBPUSHTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2.ClH/c1-13(17(23)15-7-3-2-4-8-15)18(25)24-11-14-6-5-9-16(10-14)26-12-19(20,21)22;/h2-10,13,17H,11-12,23H2,1H3,(H,24,25);1H.
What are the key properties of 3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride?
3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 402.84 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119712578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).