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

C14H20ClF3N2O3 — CID 120993277

IUPAC2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1cccc(COCC(F)(F)F)c1.Cl
InChIInChI=1S/C14H19F3N2O3.ClH/c1-21-8-12(18)13(20)19-6-10-3-2-4-11(5-10)7-22-9-14(15,16)17;/h2-5,12H,6-9,18H2,1H3,(H,19,20);1H
InChIKeyVFKQYHYLGKASKJ-UHFFFAOYSA-N
MW356.77 g/mol
LogP1.78
Rot. Bonds8

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

2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 120993277) has the molecular formula C14H20ClF3N2O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID120993277
Molecular FormulaC14H20ClF3N2O3
Molecular Weight356.77 g/mol
Exact Mass356.11
IUPAC Name2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1cccc(COCC(F)(F)F)c1.Cl
InChIInChI=1S/C14H19F3N2O3.ClH/c1-21-8-12(18)13(20)19-6-10-3-2-4-11(5-10)7-22-9-14(15,16)17;/h2-5,12H,6-9,18H2,1H3,(H,19,20);1H
InChIKeyVFKQYHYLGKASKJ-UHFFFAOYSA-N
XLogP1.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-oxo-3-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]propanoic acid
CID 122066448
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
methyl 3-[[(2-amino-3-methoxypropanoyl)amino]methyl]benzoate;hydrochloride
CID 120992458
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119699251
1-[[3-(methoxymethyl)phenyl]methyl]-3-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 94819665
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 62444453
4-[[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methylcarbamoylamino]methyl]benzoic acid
CID 122007469
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111857914

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride (CID 120993277) is 2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride is COCC(N)C(=O)NCc1cccc(COCC(F)(F)F)c1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is VFKQYHYLGKASKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3.ClH/c1-21-8-12(18)13(20)19-6-10-3-2-4-11(5-10)7-22-9-14(15,16)17;/h2-5,12H,6-9,18H2,1H3,(H,19,20);1H.
What are the key properties of 2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 356.77 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120993277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).