N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine

C11H15F3N2 — CID 20546136

IUPACN'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCNCC(CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2/c1-16-7-9(6-15)8-2-4-10(5-3-8)11(12,13)14/h2-5,9,16H,6-7,15H2,1H3
InChIKeyJPQVAVCRHGMOCZ-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.97
Rot. Bonds4

About N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine

N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine (PubChem CID 20546136) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
PubChem CID20546136
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCNCC(CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2/c1-16-7-9(6-15)8-2-4-10(5-3-8)11(12,13)14/h2-5,9,16H,6-7,15H2,1H3
InChIKeyJPQVAVCRHGMOCZ-UHFFFAOYSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine (CID 20546136) is N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine is CNCC(CN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine?
The InChIKey is JPQVAVCRHGMOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-16-7-9(6-15)8-2-4-10(5-3-8)11(12,13)14/h2-5,9,16H,6-7,15H2,1H3.
What are the key properties of N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine?
N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine has a molecular weight of 232.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-[4-(trifluoromethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 20546136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).