2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine

C14H11F12NO4 — CID 139966101

IUPAC2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine
SMILESCC(C)C(N)c1cc(OC(F)(F)F)c(OC(F)(F)F)c(OC(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C14H11F12NO4/c1-4(2)7(27)5-3-6(28-11(15,16)17)9(30-13(21,22)23)10(31-14(24,25)26)8(5)29-12(18,19)20/h3-4,7H,27H2,1-2H3
InChIKeyRPAXSFMINWQSJY-UHFFFAOYSA-N
MW485.22 g/mol
LogP5.94
Rot. Bonds6

About 2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine

2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 139966101) has the molecular formula C14H11F12NO4 and a molecular weight of 485.22 g/mol. Its IUPAC name is 2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID139966101
Molecular FormulaC14H11F12NO4
Molecular Weight485.22 g/mol
Exact Mass485.05
IUPAC Name2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine
SMILESCC(C)C(N)c1cc(OC(F)(F)F)c(OC(F)(F)F)c(OC(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C14H11F12NO4/c1-4(2)7(27)5-3-6(28-11(15,16)17)9(30-13(21,22)23)10(31-14(24,25)26)8(5)29-12(18,19)20/h3-4,7H,27H2,1-2H3
InChIKeyRPAXSFMINWQSJY-UHFFFAOYSA-N
XLogP5.94
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.22
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]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 2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine (CID 139966101) is 2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine is CC(C)C(N)c1cc(OC(F)(F)F)c(OC(F)(F)F)c(OC(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of 2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is RPAXSFMINWQSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F12NO4/c1-4(2)7(27)5-3-6(28-11(15,16)17)9(30-13(21,22)23)10(31-14(24,25)26)8(5)29-12(18,19)20/h3-4,7H,27H2,1-2H3.
What are the key properties of 2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine?
2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 485.22 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 139966101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).