2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride

C15H24Cl2F3N3O — CID 120669782

IUPAC2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCN(C)CC(F)(F)F)cc1.Cl.Cl
InChIInChI=1S/C15H22F3N3O.2ClH/c1-11-4-6-12(7-5-11)13(19)14(22)20-8-3-9-21(2)10-15(16,17)18;;/h4-7,13H,3,8-10,19H2,1-2H3,(H,20,22);2*1H
InChIKeyIZJAWOHAQKSPJP-UHFFFAOYSA-N
MW390.28 g/mol
LogP2.84
Rot. Bonds7

About 2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride

2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride (PubChem CID 120669782) has the molecular formula C15H24Cl2F3N3O and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride
PubChem CID120669782
Molecular FormulaC15H24Cl2F3N3O
Molecular Weight390.28 g/mol
Exact Mass389.12
IUPAC Name2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCN(C)CC(F)(F)F)cc1.Cl.Cl
InChIInChI=1S/C15H22F3N3O.2ClH/c1-11-4-6-12(7-5-11)13(19)14(22)20-8-3-9-21(2)10-15(16,17)18;;/h4-7,13H,3,8-10,19H2,1-2H3,(H,20,22);2*1H
InChIKeyIZJAWOHAQKSPJP-UHFFFAOYSA-N
XLogP2.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide
CID 119855322
2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669868
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669291
2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990
2-amino-2-(4-methylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 106151234
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669329
2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 106312218
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
2-amino-2-(4-methylphenyl)-N-(5-methylsulfanylpentyl)acetamide
CID 106312958
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
CID 106312957

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride (CID 120669782) is 2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NCCCN(C)CC(F)(F)F)cc1.Cl.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride?
The InChIKey is IZJAWOHAQKSPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O.2ClH/c1-11-4-6-12(7-5-11)13(19)14(22)20-8-3-9-21(2)10-15(16,17)18;;/h4-7,13H,3,8-10,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride?
2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride has a molecular weight of 390.28 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride is sourced from PubChem (CID 120669782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).