N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

C15H22F3NO — CID 79436142

IUPACN-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCNCC(CCOCC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C15H22F3NO/c1-3-19-10-14(8-9-20-11-15(16,17)18)13-6-4-12(2)5-7-13/h4-7,14,19H,3,8-11H2,1-2H3
InChIKeyODOBATRSIRXRGN-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.66
Rot. Bonds8

About N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 79436142) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID79436142
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCNCC(CCOCC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C15H22F3NO/c1-3-19-10-14(8-9-20-11-15(16,17)18)13-6-4-12(2)5-7-13/h4-7,14,19H,3,8-11H2,1-2H3
InChIKeyODOBATRSIRXRGN-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 65430048
4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine
CID 79436715
N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine
CID 103036870
N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591
4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine
CID 79430720
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62516451
N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416737
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
CID 79437143
N-methyl-2-(3-methylphenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 79416655
N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine
CID 106730122
N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412592
2-(4-bromophenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79441826

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 79436142) is N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is CCNCC(CCOCC(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is ODOBATRSIRXRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-3-19-10-14(8-9-20-11-15(16,17)18)13-6-4-12(2)5-7-13/h4-7,14,19H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 79436142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).