N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide

C12H15F3N2O — CID 134453502

IUPACN-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide
SMILESCc1c(N)cccc1C[C@@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-7(17-11(18)12(13,14)15)6-9-4-3-5-10(16)8(9)2/h3-5,7H,6,16H2,1-2H3,(H,17,18)/t7-/m1/s1
InChIKeyMHTDCZHUHNZKNA-SSDOTTSWSA-N
MW260.26 g/mol
LogP2.19
Rot. Bonds3

About N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide

N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 134453502) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID134453502
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide
SMILESCc1c(N)cccc1C[C@@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-7(17-11(18)12(13,14)15)6-9-4-3-5-10(16)8(9)2/h3-5,7H,6,16H2,1-2H3,(H,17,18)/t7-/m1/s1
InChIKeyMHTDCZHUHNZKNA-SSDOTTSWSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2',3'-Acetoxylidide
CID 8656
N-(4-Amino-3-(trifluoromethyl)phenyl)acetamide
CID 16227548
6-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9884851
6-(Cyclopentylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9817655
6-[(2,2,2-Trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9818136
6-[(2-Methylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9838735
6-((2,2,3,3,3-Pentafluoropropyl)amino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9841791
4-(Trifluoromethyl)-6-(propylamino)quinoline-2(1H)-one
CID 9903530
6-[Ethyl(propan-2-yl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9904328
6-[(2,2-Dimethylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9926254
6-(Propan-2-ylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 10199303
4-(Trifluoromethyl)-6-(diethylamino)quinoline-2(1H)-one
CID 16090309

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide (CID 134453502) is N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide is Cc1c(N)cccc1C[C@@H](C)NC(=O)C(F)(F)F.
What is the InChIKey of N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is MHTDCZHUHNZKNA-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-7(17-11(18)12(13,14)15)6-9-4-3-5-10(16)8(9)2/h3-5,7H,6,16H2,1-2H3,(H,17,18)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 260.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-amino-2-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 134453502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).