2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

C14H19F3N2O — CID 104864899

IUPAC2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccc([C@@H](C)NC(C)C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-9-4-6-12(7-5-9)10(2)19-11(3)13(20)18-8-14(15,16)17/h4-7,10-11,19H,8H2,1-3H3,(H,18,20)/t10-,11?/m1/s1
InChIKeyWRUIDKOOYRBZLR-NFJWQWPMSA-N
MW288.31 g/mol
LogP2.71
Rot. Bonds5

About 2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 104864899) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID104864899
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccc([C@@H](C)NC(C)C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-9-4-6-12(7-5-9)10(2)19-11(3)13(20)18-8-14(15,16)17/h4-7,10-11,19H,8H2,1-3H3,(H,18,20)/t10-,11?/m1/s1
InChIKeyWRUIDKOOYRBZLR-NFJWQWPMSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115597064
2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 144745057
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-N-prop-2-ynylpropanamide
CID 81356785
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 94219164
N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
CID 47320879
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78760732
6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
CID 116534570
(2S)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088120
(2R)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088122
(2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 129402672
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 104864899) is 2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1ccc([C@@H](C)NC(C)C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is WRUIDKOOYRBZLR-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9-4-6-12(7-5-9)10(2)19-11(3)13(20)18-8-14(15,16)17/h4-7,10-11,19H,8H2,1-3H3,(H,18,20)/t10-,11?/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 288.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 104864899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).