2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride

C15H22ClF3N2O2 — CID 119822111

IUPAC2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-4-8-14(2,19)13(21)20(3)10-11-6-5-7-12(9-11)22-15(16,17)18;/h5-7,9H,4,8,10,19H2,1-3H3;1H
InChIKeyKZVSCEPYFJIPEU-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.48
Rot. Bonds6

About 2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride

2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride (PubChem CID 119822111) has the molecular formula C15H22ClF3N2O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride
PubChem CID119822111
Molecular FormulaC15H22ClF3N2O2
Molecular Weight354.80 g/mol
Exact Mass354.13
IUPAC Name2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-4-8-14(2,19)13(21)20(3)10-11-6-5-7-12(9-11)22-15(16,17)18;/h5-7,9H,4,8,10,19H2,1-3H3;1H
InChIKeyKZVSCEPYFJIPEU-UHFFFAOYSA-N
XLogP3.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-2-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 120594434
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119822061
(2R)-2-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119345497
2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119681313
3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119345484
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60936685
2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 119822100
2-(2-methoxyethylamino)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119822107
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 54872621
2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695698
2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride
CID 119681995

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride (CID 119822111) is 2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1.Cl.
What is the InChIKey of 2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride?
The InChIKey is KZVSCEPYFJIPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2.ClH/c1-4-8-14(2,19)13(21)20(3)10-11-6-5-7-12(9-11)22-15(16,17)18;/h5-7,9H,4,8,10,19H2,1-3H3;1H.
What are the key properties of 2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride?
2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride has a molecular weight of 354.80 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119822111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).