1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine

C12H16F3NO — CID 16785476

IUPAC1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1ccc(C(N)C(C)OCC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-8-3-5-10(6-4-8)11(16)9(2)17-7-12(13,14)15/h3-6,9,11H,7,16H2,1-2H3
InChIKeyKHDXYTNQCOXMNM-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine

1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 16785476) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID16785476
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1ccc(C(N)C(C)OCC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-8-3-5-10(6-4-8)11(16)9(2)17-7-12(13,14)15/h3-6,9,11H,7,16H2,1-2H3
InChIKeyKHDXYTNQCOXMNM-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine (CID 16785476) is 1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine is Cc1ccc(C(N)C(C)OCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is KHDXYTNQCOXMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-8-3-5-10(6-4-8)11(16)9(2)17-7-12(13,14)15/h3-6,9,11H,7,16H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 16785476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).