3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine

C13H18F3NO — CID 63226596

IUPAC3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
SMILESCOc1ccc(CC(C)NCCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-10(17-8-7-13(14,15)16)9-11-3-5-12(18-2)6-4-11/h3-6,10,17H,7-9H2,1-2H3
InChIKeyWZSHMZLKIYSGKM-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.17
Rot. Bonds6

About 3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine

3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine (PubChem CID 63226596) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
PubChem CID63226596
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
SMILESCOc1ccc(CC(C)NCCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-10(17-8-7-13(14,15)16)9-11-3-5-12(18-2)6-4-11/h3-6,10,17H,7-9H2,1-2H3
InChIKeyWZSHMZLKIYSGKM-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]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 3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine (CID 63226596) is 3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine is COc1ccc(CC(C)NCCC(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine?
The InChIKey is WZSHMZLKIYSGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-10(17-8-7-13(14,15)16)9-11-3-5-12(18-2)6-4-11/h3-6,10,17H,7-9H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine?
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine is sourced from PubChem (CID 63226596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).