2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride

C15H22ClF3N2O2 — CID 119748726

IUPAC2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)c1ccc(OCC(F)(F)F)cc1.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-10(8-19-3)14(21)20-11(2)12-4-6-13(7-5-12)22-9-15(16,17)18;/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21);1H
InChIKeyDXXRMIFMUQZHSW-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.08
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride (PubChem CID 119748726) has the molecular formula C15H22ClF3N2O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride
PubChem CID119748726
Molecular FormulaC15H22ClF3N2O2
Molecular Weight354.80 g/mol
Exact Mass354.13
IUPAC Name2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)c1ccc(OCC(F)(F)F)cc1.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-10(8-19-3)14(21)20-11(2)12-4-6-13(7-5-12)22-9-15(16,17)18;/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21);1H
InChIKeyDXXRMIFMUQZHSW-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide
CID 120667813
(2S)-2-amino-4-methylsulfanyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119303255
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748696
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119748722
4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119303259
1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 60586866
2,2,2-trifluoroethyl N-[1-(4-ethoxyphenyl)ethyl]carbamate
CID 60705841
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119303272
1-[1-(4-bromophenyl)ethyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112808744
4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide
CID 166396500
(1R,2S,3R,4R)-3-[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98473539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride (CID 119748726) is 2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride is CNCC(C)C(=O)NC(C)c1ccc(OCC(F)(F)F)cc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride?
The InChIKey is DXXRMIFMUQZHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2.ClH/c1-10(8-19-3)14(21)20-11(2)12-4-6-13(7-5-12)22-9-15(16,17)18;/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride has a molecular weight of 354.80 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119748726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).