1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine

C10H13F3N2 — CID 13034547

IUPAC1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESNCCC(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2/c11-10(12,13)8-4-2-1-3-7(8)9(15)5-6-14/h1-4,9H,5-6,14-15H2
InChIKeyZRFTWJWAWCDYRI-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.05
Rot. Bonds3

About 1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine

1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine (PubChem CID 13034547) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
PubChem CID13034547
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESNCCC(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2/c11-10(12,13)8-4-2-1-3-7(8)9(15)5-6-14/h1-4,9H,5-6,14-15H2
InChIKeyZRFTWJWAWCDYRI-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

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Related Compounds

(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 171228970
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
1-[2-(trifluoromethyl)phenyl]decan-1-amine
CID 115831210
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
(1S)-1-[2,5-bis(trifluoromethyl)phenyl]propane-1,3-diamine
CID 171228404
3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103148910
(1S)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313078
(1R)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313711
3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 105145474
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine (CID 13034547) is 1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine is NCCC(N)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine?
The InChIKey is ZRFTWJWAWCDYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)8-4-2-1-3-7(8)9(15)5-6-14/h1-4,9H,5-6,14-15H2.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine?
1-[2-(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-[2-(trifluoromethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 13034547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).