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

C12H15F3N2O2 — CID 119315205

IUPAC(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCc1c(NC(=O)[C@H](C)N)cccc1OCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-7-9(17-11(18)8(2)16)4-3-5-10(7)19-6-12(13,14)15/h3-5,8H,6,16H2,1-2H3,(H,17,18)/t8-/m0/s1
InChIKeyYLJXKINZMYRSDX-QMMMGPOBSA-N
MW276.26 g/mol
LogP2.22
Rot. Bonds4

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

(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide (PubChem CID 119315205) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
PubChem CID119315205
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCc1c(NC(=O)[C@H](C)N)cccc1OCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-7-9(17-11(18)8(2)16)4-3-5-10(7)19-6-12(13,14)15/h3-5,8H,6,16H2,1-2H3,(H,17,18)/t8-/m0/s1
InChIKeyYLJXKINZMYRSDX-QMMMGPOBSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120791678
2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769160
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112685720
2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769186
3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 119700402
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide
CID 56824373
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119315211
3-[3-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122079144
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119315217
1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 56824446

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide (CID 119315205) is (2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide is Cc1c(NC(=O)[C@H](C)N)cccc1OCC(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The InChIKey is YLJXKINZMYRSDX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-7-9(17-11(18)8(2)16)4-3-5-10(7)19-6-12(13,14)15/h3-5,8H,6,16H2,1-2H3,(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide has a molecular weight of 276.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 119315205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).