N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine

C21H22F3N3O — CID 112844022

IUPACN-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCN(Cc1ccc(OCc2nccn2C)cc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O/c1-26(14-17-4-3-5-18(12-17)21(22,23)24)13-16-6-8-19(9-7-16)28-15-20-25-10-11-27(20)2/h3-12H,13-15H2,1-2H3
InChIKeyJCJGKIWVOXZEJX-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.65
Rot. Bonds7

About N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine

N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 112844022) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID112844022
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC NameN-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCN(Cc1ccc(OCc2nccn2C)cc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O/c1-26(14-17-4-3-5-18(12-17)21(22,23)24)13-16-6-8-19(9-7-16)28-15-20-25-10-11-27(20)2/h3-12H,13-15H2,1-2H3
InChIKeyJCJGKIWVOXZEJX-UHFFFAOYSA-N
XLogP4.65
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (CID 112844022) is N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is CN(Cc1ccc(OCc2nccn2C)cc1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is JCJGKIWVOXZEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c1-26(14-17-4-3-5-18(12-17)21(22,23)24)13-16-6-8-19(9-7-16)28-15-20-25-10-11-27(20)2/h3-12H,13-15H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 389.42 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 112844022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).