2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine

C17H18F3NO — CID 117241572

IUPAC2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCC(COc1ccccc1C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C17H18F3NO/c18-17(19,20)15-8-4-5-9-16(15)22-12-14(11-21)10-13-6-2-1-3-7-13/h1-9,14H,10-12,21H2
InChIKeyZCEIVFDFYHAJRO-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.90
Rot. Bonds6

About 2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine

2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 117241572) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID117241572
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCC(COc1ccccc1C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C17H18F3NO/c18-17(19,20)15-8-4-5-9-16(15)22-12-14(11-21)10-13-6-2-1-3-7-13/h1-9,14H,10-12,21H2
InChIKeyZCEIVFDFYHAJRO-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241681
4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241683
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 62043196
4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236717
1-(trifluoromethyl)-2-(trioxidanyl)benzene
CID 90090686
(2R)-2-benzylbutan-1-amine
CID 42325983
N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine
CID 107506501
N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 62571624

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine (CID 117241572) is 2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine is NCC(COc1ccccc1C(F)(F)F)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is ZCEIVFDFYHAJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c18-17(19,20)15-8-4-5-9-16(15)22-12-14(11-21)10-13-6-2-1-3-7-13/h1-9,14H,10-12,21H2.
What are the key properties of 2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine?
2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 309.33 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 117241572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).