1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine

C15H11F12NO4 — CID 139966020

IUPAC1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cc(OC(F)(F)F)c(OC(F)(F)F)c(OC(F)(F)F)c1OC(F)(F)F)C1CC1
InChIInChI=1S/C15H11F12NO4/c1-28-8(5-2-3-5)6-4-7(29-12(16,17)18)10(31-14(22,23)24)11(32-15(25,26)27)9(6)30-13(19,20)21/h4-5,8,28H,2-3H2,1H3
InChIKeyVBKXULDPGJPNOA-UHFFFAOYSA-N
MW497.23 g/mol
LogP5.95
Rot. Bonds7

About 1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine

1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine (PubChem CID 139966020) has the molecular formula C15H11F12NO4 and a molecular weight of 497.23 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine
PubChem CID139966020
Molecular FormulaC15H11F12NO4
Molecular Weight497.23 g/mol
Exact Mass497.05
IUPAC Name1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cc(OC(F)(F)F)c(OC(F)(F)F)c(OC(F)(F)F)c1OC(F)(F)F)C1CC1
InChIInChI=1S/C15H11F12NO4/c1-28-8(5-2-3-5)6-4-7(29-12(16,17)18)10(31-14(22,23)24)11(32-15(25,26)27)9(6)30-13(19,20)21/h4-5,8,28H,2-3H2,1H3
InChIKeyVBKXULDPGJPNOA-UHFFFAOYSA-N
XLogP5.95
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.23
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine 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-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine (CID 139966020) is 1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine is CNC(c1cc(OC(F)(F)F)c(OC(F)(F)F)c(OC(F)(F)F)c1OC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine?
The InChIKey is VBKXULDPGJPNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F12NO4/c1-28-8(5-2-3-5)6-4-7(29-12(16,17)18)10(31-14(22,23)24)11(32-15(25,26)27)9(6)30-13(19,20)21/h4-5,8,28H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine?
1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine has a molecular weight of 497.23 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 139966020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).