4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride

C13H18ClF3N2O2 — CID 119278553

IUPAC4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)CCCN.Cl
InChIInChI=1S/C13H17F3N2O2.ClH/c1-18(12(19)7-4-8-17)9-10-5-2-3-6-11(10)20-13(14,15)16;/h2-3,5-6H,4,7-9,17H2,1H3;1H
InChIKeyLDTYWXAVFGZXLO-UHFFFAOYSA-N
MW326.75 g/mol
LogP2.70
Rot. Bonds6

About 4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride

4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119278553) has the molecular formula C13H18ClF3N2O2 and a molecular weight of 326.75 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
PubChem CID119278553
Molecular FormulaC13H18ClF3N2O2
Molecular Weight326.75 g/mol
Exact Mass326.10
IUPAC Name4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)CCCN.Cl
InChIInChI=1S/C13H17F3N2O2.ClH/c1-18(12(19)7-4-8-17)9-10-5-2-3-6-11(10)20-13(14,15)16;/h2-3,5-6H,4,7-9,17H2,1H3;1H
InChIKeyLDTYWXAVFGZXLO-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 55939528
N-methyl-3-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55550183
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870983
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
2-amino-N-methyl-2-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 120666980
3-[(4-bromophenyl)sulfonylamino]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38075553

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride (CID 119278553) is 4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride is CN(Cc1ccccc1OC(F)(F)F)C(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is LDTYWXAVFGZXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2.ClH/c1-18(12(19)7-4-8-17)9-10-5-2-3-6-11(10)20-13(14,15)16;/h2-3,5-6H,4,7-9,17H2,1H3;1H.
What are the key properties of 4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride?
4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 326.75 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119278553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).