N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine

C13H19F3N2O — CID 107367846

IUPACN'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine
SMILESNCCCN(CCOC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)19-10-9-18(8-4-7-17)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,17H2
InChIKeyUFSXFYLJKOXWMI-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.37
Rot. Bonds8

About N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine

N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine (PubChem CID 107367846) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine
PubChem CID107367846
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine
SMILESNCCCN(CCOC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)19-10-9-18(8-4-7-17)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,17H2
InChIKeyUFSXFYLJKOXWMI-UHFFFAOYSA-N
XLogP2.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 107367067
N'-benzyl-N'-but-3-ynylpropane-1,3-diamine
CID 107367143
N'-benzyl-N'-but-3-enylpropane-1,3-diamine
CID 107367467
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
2-[[3-aminopropyl(benzyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 107367150
N-benzyl-3-bromo-N-(3-bromopropyl)propan-1-amine
CID 23242798
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
5-[3-aminopropyl(benzyl)amino]-2,2-dimethylpentanenitrile
CID 107367959
N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane
CID 157145048
N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 107367822

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine (CID 107367846) is N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine is NCCCN(CCOC(F)(F)F)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine?
The InChIKey is UFSXFYLJKOXWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)19-10-9-18(8-4-7-17)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,17H2.
What are the key properties of N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine?
N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine has a molecular weight of 276.30 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 107367846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).