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

C14H20ClF3N2O2 — CID 120502341

IUPAC3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NCCc1ccccc1OC(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O2.ClH/c1-9(10(2)18)13(20)19-8-7-11-5-3-4-6-12(11)21-14(15,16)17;/h3-6,9-10H,7-8,18H2,1-2H3,(H,19,20);1H
InChIKeyQFFASZPXDCTVIP-UHFFFAOYSA-N
MW340.77 g/mol
LogP2.65
Rot. Bonds6

About 3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride

3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride (PubChem CID 120502341) has the molecular formula C14H20ClF3N2O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
PubChem CID120502341
Molecular FormulaC14H20ClF3N2O2
Molecular Weight340.77 g/mol
Exact Mass340.12
IUPAC Name3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NCCc1ccccc1OC(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O2.ClH/c1-9(10(2)18)13(20)19-8-7-11-5-3-4-6-12(11)21-14(15,16)17;/h3-6,9-10H,7-8,18H2,1-2H3,(H,19,20);1H
InChIKeyQFFASZPXDCTVIP-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119270019
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CID 174497804
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540
N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119529048
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119821322
4-[2-[3-[2-(trifluoromethoxy)phenyl]propanoylamino]ethyl]benzoic acid
CID 119168879
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide
CID 120500978
2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine
CID 64504928
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea
CID 146131380

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride (CID 120502341) is 3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride is CC(N)C(C)C(=O)NCCc1ccccc1OC(F)(F)F.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride?
The InChIKey is QFFASZPXDCTVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2.ClH/c1-9(10(2)18)13(20)19-8-7-11-5-3-4-6-12(11)21-14(15,16)17;/h3-6,9-10H,7-8,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride?
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride has a molecular weight of 340.77 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 120502341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).