1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine

C10H13F3N2 — CID 19748254

IUPAC1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESNCCC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)8-3-1-2-7(6-8)9(15)4-5-14/h1-3,6,9H,4-5,14-15H2
InChIKeyPMUGLMFRXXKGSL-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.05
Rot. Bonds3

About 1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine

1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (PubChem CID 19748254) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
PubChem CID19748254
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESNCCC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)8-3-1-2-7(6-8)9(15)4-5-14/h1-3,6,9H,4-5,14-15H2
InChIKeyPMUGLMFRXXKGSL-UHFFFAOYSA-N
XLogP2.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine 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-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (CID 19748254) is 1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is NCCC(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The InChIKey is PMUGLMFRXXKGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)8-3-1-2-7(6-8)9(15)4-5-14/h1-3,6,9H,4-5,14-15H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine has a molecular weight of 218.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 19748254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).