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

C16H17F3N2 — CID 62313283

IUPACN'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESNCCCN(c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2/c17-16(18,19)14-9-4-5-10-15(14)21(12-6-11-20)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12,20H2
InChIKeySCIYRAXGTLGRQG-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.19
Rot. Bonds5

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

N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine (PubChem CID 62313283) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
PubChem CID62313283
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESNCCCN(c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2/c17-16(18,19)14-9-4-5-10-15(14)21(12-6-11-20)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12,20H2
InChIKeySCIYRAXGTLGRQG-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine?
The IUPAC name of N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine (CID 62313283) is N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine is NCCCN(c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine?
The InChIKey is SCIYRAXGTLGRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c17-16(18,19)14-9-4-5-10-15(14)21(12-6-11-20)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12,20H2.
What are the key properties of N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine?
N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine has a molecular weight of 294.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 62313283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).