N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine

C16H16F3NO — CID 62571624

IUPACN-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
SMILESFC(F)(F)c1ccccc1OCCNCc1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-8-4-5-9-15(14)21-11-10-20-12-13-6-2-1-3-7-13/h1-9,20H,10-12H2
InChIKeyDHPDHDPOHBCIFA-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.87
Rot. Bonds6

About N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine

N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 62571624) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
PubChem CID62571624
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
SMILESFC(F)(F)c1ccccc1OCCNCc1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-8-4-5-9-15(14)21-11-10-20-12-13-6-2-1-3-7-13/h1-9,20H,10-12H2
InChIKeyDHPDHDPOHBCIFA-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propoxyphenoxy)ethanamine
CID 62573087
N-(1H-imidazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 119126165
N-benzyl-2-(2,5-difluorophenoxy)ethanamine
CID 63273196
2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide
CID 69274934
2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride
CID 69274933
N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine
CID 62570841
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39362846
3-[[2-(2-tert-butylphenoxy)ethylamino]methyl]benzoic acid
CID 122031266
N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 166277278
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]methyl]benzoic acid
CID 122032156

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine (CID 62571624) is N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine is FC(F)(F)c1ccccc1OCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is DHPDHDPOHBCIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)14-8-4-5-9-15(14)21-11-10-20-12-13-6-2-1-3-7-13/h1-9,20H,10-12H2.
What are the key properties of N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine?
N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine is sourced from PubChem (CID 62571624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).