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

C13H18F3NO2 — CID 79492862

IUPACN-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)C(OC)OC
InChIInChI=1S/C13H18F3NO2/c1-4-17-11(12(18-2)19-3)9-5-7-10(8-6-9)13(14,15)16/h5-8,11-12,17H,4H2,1-3H3
InChIKeyUAVIRCJAKCYXEE-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.97
Rot. Bonds6

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

N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 79492862) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID79492862
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)C(OC)OC
InChIInChI=1S/C13H18F3NO2/c1-4-17-11(12(18-2)19-3)9-5-7-10(8-6-9)13(14,15)16/h5-8,11-12,17H,4H2,1-3H3
InChIKeyUAVIRCJAKCYXEE-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

1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492955
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 116715723
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616230
2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 116718838
N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 105000583
(1R,2R)-N,N'-bis(4-methoxyphenyl)-1,2-bis[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 46223762
N-ethyl-N',N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 79092627
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044369
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
CID 116722412
(2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 92974659

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 79492862) is N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine is CCNC(c1ccc(C(F)(F)F)cc1)C(OC)OC.
What is the InChIKey of N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is UAVIRCJAKCYXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-4-17-11(12(18-2)19-3)9-5-7-10(8-6-9)13(14,15)16/h5-8,11-12,17H,4H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]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 N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 79492862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).