3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride

C13H18ClF3N2O — CID 119705501

IUPAC3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCC(C)(CN)C(=O)NCc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C13H17F3N2O.ClH/c1-12(2,8-17)11(19)18-7-9-5-3-4-6-10(9)13(14,15)16;/h3-6H,7-8,17H2,1-2H3,(H,18,19);1H
InChIKeyIDNWZFNEIOXVJQ-UHFFFAOYSA-N
MW310.75 g/mol
LogP2.73
Rot. Bonds4

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

3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119705501) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID119705501
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCC(C)(CN)C(=O)NCc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C13H17F3N2O.ClH/c1-12(2,8-17)11(19)18-7-9-5-3-4-6-10(9)13(14,15)16;/h3-6H,7-8,17H2,1-2H3,(H,18,19);1H
InChIKeyIDNWZFNEIOXVJQ-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62880973
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3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
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1-(3-aminopropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea;hydrochloride
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3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 81490013
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119570058
2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 150499557
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 82010760
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride (CID 119705501) is 3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride is CC(C)(CN)C(=O)NCc1ccccc1C(F)(F)F.Cl.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is IDNWZFNEIOXVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.ClH/c1-12(2,8-17)11(19)18-7-9-5-3-4-6-10(9)13(14,15)16;/h3-6H,7-8,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 310.75 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119705501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).