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

C12H16F3NO2 — CID 70831051

IUPAC2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCOCCN(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c1-16(7-8-17-2)9-10-3-5-11(6-4-10)18-12(13,14)15/h3-6H,7-9H2,1-2H3
InChIKeyRELRKLPBZRMSJY-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.66
Rot. Bonds6

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

2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 70831051) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID70831051
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCOCCN(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c1-16(7-8-17-2)9-10-3-5-11(6-4-10)18-12(13,14)15/h3-6H,7-9H2,1-2H3
InChIKeyRELRKLPBZRMSJY-UHFFFAOYSA-N
XLogP2.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine
CID 165420384
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]butan-2-ol
CID 111488549
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
N',2,2-trimethyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
CID 79652388
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347558
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347551
N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 51076389
4-[[2-methoxyethyl(methyl)amino]methyl]benzenecarbothioamide
CID 61427647
ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate
CID 71879831
N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide
CID 56540605

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 70831051) is 2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is COCCN(C)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is RELRKLPBZRMSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-16(7-8-17-2)9-10-3-5-11(6-4-10)18-12(13,14)15/h3-6H,7-9H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 70831051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).