2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride

C14H20ClF3N2O3 — CID 119304963

IUPAC2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)NCC(O)COc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H19F3N2O3.ClH/c1-13(2,18)12(21)19-7-10(20)8-22-11-5-3-4-9(6-11)14(15,16)17;/h3-6,10,20H,7-8,18H2,1-2H3,(H,19,21);1H
InChIKeyWLNIAVPQYGRPSU-UHFFFAOYSA-N
MW356.77 g/mol
LogP1.72
Rot. Bonds6

About 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride

2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride (PubChem CID 119304963) has the molecular formula C14H20ClF3N2O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
PubChem CID119304963
Molecular FormulaC14H20ClF3N2O3
Molecular Weight356.77 g/mol
Exact Mass356.11
IUPAC Name2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)NCC(O)COc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H19F3N2O3.ClH/c1-13(2,18)12(21)19-7-10(20)8-22-11-5-3-4-9(6-11)14(15,16)17;/h3-6,10,20H,7-8,18H2,1-2H3,(H,19,21);1H
InChIKeyWLNIAVPQYGRPSU-UHFFFAOYSA-N
XLogP1.72
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;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

2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
CID 119751688
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
CID 120590377
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
5-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylbenzamide
CID 120625917
3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
CID 119950634
3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride
CID 120609837

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride (CID 119304963) is 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride is CC(C)(N)C(=O)NCC(O)COc1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride?
The InChIKey is WLNIAVPQYGRPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3.ClH/c1-13(2,18)12(21)19-7-10(20)8-22-11-5-3-4-9(6-11)14(15,16)17;/h3-6,10,20H,7-8,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride?
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride has a molecular weight of 356.77 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119304963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).