2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine

C19H22F3NO3 — CID 165420384

IUPAC2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine
SMILESCOCCN(C)Cc1ccc(OC)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C19H22F3NO3/c1-23(10-11-24-2)13-14-4-9-18(25-3)17(12-14)15-5-7-16(8-6-15)26-19(20,21)22/h4-9,12H,10-11,13H2,1-3H3
InChIKeyMOSPNGCCZCOXCJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.34
Rot. Bonds8

About 2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine

2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine (PubChem CID 165420384) has the molecular formula C19H22F3NO3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine
PubChem CID165420384
Molecular FormulaC19H22F3NO3
Molecular Weight369.38 g/mol
Exact Mass369.16
IUPAC Name2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine
SMILESCOCCN(C)Cc1ccc(OC)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C19H22F3NO3/c1-23(10-11-24-2)13-14-4-9-18(25-3)17(12-14)15-5-7-16(8-6-15)26-19(20,21)22/h4-9,12H,10-11,13H2,1-3H3
InChIKeyMOSPNGCCZCOXCJ-UHFFFAOYSA-N
XLogP4.34
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 70831051
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]butan-2-ol
CID 111488549
4-ethynyl-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 172879728
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
3-[4-(4-methoxyphenyl)-2-methylphenyl]-N,4-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentan-1-amine
CID 144777824
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507
2-methoxy-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62019469
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8584003

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine?
The IUPAC name of 2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine (CID 165420384) is 2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine?
The canonical SMILES for 2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine is COCCN(C)Cc1ccc(OC)c(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine?
The InChIKey is MOSPNGCCZCOXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO3/c1-23(10-11-24-2)13-14-4-9-18(25-3)17(12-14)15-5-7-16(8-6-15)26-19(20,21)22/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of 2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine?
2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine has a molecular weight of 369.38 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine is sourced from PubChem (CID 165420384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).