2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

C17H18F3NO — CID 2162695

IUPAC2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCOc1ccccc1CCNCc1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3NO/c1-22-16-9-5-3-6-13(16)10-11-21-12-14-7-2-4-8-15(14)17(18,19)20/h2-9,21H,10-12H2,1H3
InChIKeyUFWRXKCMAARLBO-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.05
Rot. Bonds6

About 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 2162695) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID2162695
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCOc1ccccc1CCNCc1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3NO/c1-22-16-9-5-3-6-13(16)10-11-21-12-14-7-2-4-8-15(14)17(18,19)20/h2-9,21H,10-12H2,1H3
InChIKeyUFWRXKCMAARLBO-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 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 ≤ 54.05
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

2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid
CID 17367557
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292
1-[(2-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 57251880
2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 168972893
2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine
CID 166130267
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207210
3-[2-(2-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225180
5,5,5-trifluoro-N-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 115491458
2-[[2-(2-methoxyphenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17207529
7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169285859
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
N'-methyl-N'-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62635384

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 2162695) is 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is COc1ccccc1CCNCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is UFWRXKCMAARLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-22-16-9-5-3-6-13(16)10-11-21-12-14-7-2-4-8-15(14)17(18,19)20/h2-9,21H,10-12H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 309.33 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 2162695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).