2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine

C13H18F3NO2 — CID 60816332

IUPAC2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCOC(CNC(C)c1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C13H18F3NO2/c1-9(17-8-12(18-2)19-3)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12,17H,8H2,1-3H3
InChIKeyVEODPWLEVZDICN-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.97
Rot. Bonds6

About 2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine

2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine (PubChem CID 60816332) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
PubChem CID60816332
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCOC(CNC(C)c1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C13H18F3NO2/c1-9(17-8-12(18-2)19-3)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12,17H,8H2,1-3H3
InChIKeyVEODPWLEVZDICN-UHFFFAOYSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(Benzylamino)acetaldehyde diethyl acetal
CID 521961
2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
(2,4-Dimethylbenzyl)(2-methoxy-1-methylethyl)amine
CID 2850780
N-(2,6-difluorobenzyl)-1-methoxypropan-2-amine
CID 2851055
N-(4-isopropylbenzyl)-2-methoxyethanamine hydrochloride
CID 6463016
N-Benzyl-2,2-dimethoxyethan-1-amine
CID 276572
Phenethylamine, N-(2-ethoxyethyl)-alpha-methyl-m-trifluoromethyl-
CID 3057530
2-Morpholin-4-Yl-2-[4-(Trifluoromethyl)Phenyl]Ethylamine
CID 3871090
[(4-Ethylphenyl)methyl](2-methoxyethyl)amine hydrochloride
CID 17295529
(2-Methoxy-1-methyl-ethyl)-(3-methyl-benzyl)-amine
CID 2852613
N-(2,5-difluorobenzyl)-1-methoxypropan-2-amine
CID 3126331
2-methoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 16071105

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine (CID 60816332) is 2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine is COC(CNC(C)c1ccc(C(F)(F)F)cc1)OC.
What is the InChIKey of 2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
The InChIKey is VEODPWLEVZDICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-9(17-8-12(18-2)19-3)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12,17H,8H2,1-3H3.
What are the key properties of 2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine has a molecular weight of 277.29 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine is sourced from PubChem (CID 60816332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).