2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium

C19H23F3NO2+ — CID 6962088

IUPAC2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
SMILESCOc1ccc(CC[NH+](C)Cc2ccccc2C(F)(F)F)cc1OC
InChIInChI=1S/C19H22F3NO2/c1-23(13-15-6-4-5-7-16(15)19(20,21)22)11-10-14-8-9-17(24-2)18(12-14)25-3/h4-9,12H,10-11,13H2,1-3H3/p+1
InChIKeyLYDWAUFDFAZXQT-UHFFFAOYSA-O
MW354.39 g/mol
LogP2.98
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium

2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium (PubChem CID 6962088) has the molecular formula C19H23F3NO2+ and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
PubChem CID6962088
Molecular FormulaC19H23F3NO2+
Molecular Weight354.39 g/mol
Exact Mass354.17
IUPAC Name2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
SMILESCOc1ccc(CC[NH+](C)Cc2ccccc2C(F)(F)F)cc1OC
InChIInChI=1S/C19H22F3NO2/c1-23(13-15-6-4-5-7-16(15)19(20,21)22)11-10-14-8-9-17(24-2)18(12-14)25-3/h4-9,12H,10-11,13H2,1-3H3/p+1
InChIKeyLYDWAUFDFAZXQT-UHFFFAOYSA-O
XLogP2.98
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 7427771
2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium
CID 2227478
bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 5715
2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]-methylazanium
CID 8583994
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
1-[(2-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 57251880
2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 23512067
N-[(2-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 2163807
2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8584090
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8583964
(Z)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(trifluoromethyl)anilino]prop-2-enamide
CID 108836161
2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8583864

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium (CID 6962088) is 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium is COc1ccc(CC[NH+](C)Cc2ccccc2C(F)(F)F)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium?
The InChIKey is LYDWAUFDFAZXQT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22F3NO2/c1-23(13-15-6-4-5-7-16(15)19(20,21)22)11-10-14-8-9-17(24-2)18(12-14)25-3/h4-9,12H,10-11,13H2,1-3H3/p+1.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium?
2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium has a molecular weight of 354.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium is sourced from PubChem (CID 6962088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).