2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide

C15H21F3N2O — CID 43103125

IUPAC2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-10(2)14(21)20-9-8-19-11(3)12-4-6-13(7-5-12)15(16,17)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyDHYSTQIVWFJCHW-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.13
Rot. Bonds6

About 2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide

2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide (PubChem CID 43103125) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
PubChem CID43103125
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-10(2)14(21)20-9-8-19-11(3)12-4-6-13(7-5-12)15(16,17)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyDHYSTQIVWFJCHW-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(4-ethylphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203024
N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
CID 43103925
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 43566828
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetonitrile
CID 86782131
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]prop-2-en-1-amine
CID 115900097
3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109020331
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide
CID 103716956
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 43196227

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide (CID 43103125) is 2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide is CC(C)C(=O)NCCNC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide?
The InChIKey is DHYSTQIVWFJCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(2)14(21)20-9-8-19-11(3)12-4-6-13(7-5-12)15(16,17)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide?
2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide has a molecular weight of 302.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide is sourced from PubChem (CID 43103125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).