N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine

C15H23F3N2O — CID 62570841

IUPACN',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C15H23F3N2O/c1-3-20(4-2)11-9-19-10-12-21-14-8-6-5-7-13(14)15(16,17)18/h5-8,19H,3-4,9-12H2,1-2H3
InChIKeyOAKKJPWZLILDTG-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.02
Rot. Bonds9

About N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine (PubChem CID 62570841) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine
PubChem CID62570841
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C15H23F3N2O/c1-3-20(4-2)11-9-19-10-12-21-14-8-6-5-7-13(14)15(16,17)18/h5-8,19H,3-4,9-12H2,1-2H3
InChIKeyOAKKJPWZLILDTG-UHFFFAOYSA-N
XLogP3.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 62571624
2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide
CID 69274934
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride
CID 69274933
N-(1H-imidazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 119126165
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
2-[2-(2-tert-butylphenoxy)ethylamino]ethanol
CID 39259210
N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 62571642
4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505392
2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505393

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine (CID 62570841) is N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine is CCN(CC)CCNCCOc1ccccc1C(F)(F)F.
What is the InChIKey of N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine?
The InChIKey is OAKKJPWZLILDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-3-20(4-2)11-9-19-10-12-21-14-8-6-5-7-13(14)15(16,17)18/h5-8,19H,3-4,9-12H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62570841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).