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

C15H21F3N2O — CID 43111148

IUPAC2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-10(2)14(21)20-9-8-19-11(3)12-6-4-5-7-13(12)15(16,17)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyHKSWOVXZVTXEKE-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.13
Rot. Bonds6

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

2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide (PubChem CID 43111148) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
PubChem CID43111148
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-10(2)14(21)20-9-8-19-11(3)12-6-4-5-7-13(12)15(16,17)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyHKSWOVXZVTXEKE-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

2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 54931550
N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75427916
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine
CID 63452516
N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203001
2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43103125
N',N'-diethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 43106993
2-[1-(2-fluorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18086069
N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 107710460
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 113348726

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide (CID 43111148) is 2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide is CC(C)C(=O)NCCNC(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide?
The InChIKey is HKSWOVXZVTXEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(2)14(21)20-9-8-19-11(3)12-6-4-5-7-13(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-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide?
2-methyl-N-[2-[1-[2-(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-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide is sourced from PubChem (CID 43111148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).