3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide

C15H21F3N2O2 — CID 120501924

IUPAC3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
SMILESCc1ccc(CNC(=O)C(C)C(C)N)c(OCC(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O2/c1-9-4-5-12(7-20-14(21)10(2)11(3)19)13(6-9)22-8-15(16,17)18/h4-6,10-11H,7-8,19H2,1-3H3,(H,20,21)
InChIKeyREGDEDAJZKTNOK-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.54
Rot. Bonds6

About 3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide

3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide (PubChem CID 120501924) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
PubChem CID120501924
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
SMILESCc1ccc(CNC(=O)C(C)C(C)N)c(OCC(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O2/c1-9-4-5-12(7-20-14(21)10(2)11(3)19)13(6-9)22-8-15(16,17)18/h4-6,10-11H,7-8,19H2,1-3H3,(H,20,21)
InChIKeyREGDEDAJZKTNOK-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119339310
2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119811196
2-amino-4-methylsulfonyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119957684
1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 119811160
3-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811167
N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119811192
2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119744429
(2S)-2-amino-3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 119744415
(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
CID 119811330
3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119811618
(2S,5R)-5-(aminomethyl)-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120795597
2-methyl-3-(methylamino)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 119744421

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide (CID 120501924) is 3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide is Cc1ccc(CNC(=O)C(C)C(C)N)c(OCC(F)(F)F)c1.
What is the InChIKey of 3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide?
The InChIKey is REGDEDAJZKTNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-9-4-5-12(7-20-14(21)10(2)11(3)19)13(6-9)22-8-15(16,17)18/h4-6,10-11H,7-8,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide?
3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide has a molecular weight of 318.34 g/mol, XLogP of 2.54, 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-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 120501924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).