2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide

C15H21F3N2O2 — CID 119744429

IUPAC2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccccc1OCC(F)(F)F
InChIInChI=1S/C15H21F3N2O2/c1-3-10(2)13(19)14(21)20-8-11-6-4-5-7-12(11)22-9-15(16,17)18/h4-7,10,13H,3,8-9,19H2,1-2H3,(H,20,21)
InChIKeyOBQULGHHIUYIGS-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.62
Rot. Bonds7

About 2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide

2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide (PubChem CID 119744429) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
PubChem CID119744429
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccccc1OCC(F)(F)F
InChIInChI=1S/C15H21F3N2O2/c1-3-10(2)13(19)14(21)20-8-11-6-4-5-7-12(11)22-9-15(16,17)18/h4-7,10,13H,3,8-9,19H2,1-2H3,(H,20,21)
InChIKeyOBQULGHHIUYIGS-UHFFFAOYSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119811196
(2S)-2-amino-3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 119744415
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
2-methyl-3-(methylamino)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 119744421
2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778077
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 43277259
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 120789376
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
(2S)-2-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119339310
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 120501924

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide (CID 119744429) is 2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide is CCC(C)C(N)C(=O)NCc1ccccc1OCC(F)(F)F.
What is the InChIKey of 2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide?
The InChIKey is OBQULGHHIUYIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-3-10(2)13(19)14(21)20-8-11-6-4-5-7-12(11)22-9-15(16,17)18/h4-7,10,13H,3,8-9,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide?
2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide has a molecular weight of 318.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 119744429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).