N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

C16H20F3N3O — CID 131948411

IUPACN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCOCCn1ccnc1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3N3O/c1-21(12-15-20-7-8-22(15)9-10-23-2)11-13-3-5-14(6-4-13)16(17,18)19/h3-8H,9-12H2,1-2H3
InChIKeyDDDKFFXZIGQXSC-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.18
Rot. Bonds7

About N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 131948411) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID131948411
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC NameN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCOCCn1ccnc1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3N3O/c1-21(12-15-20-7-8-22(15)9-10-23-2)11-13-3-5-14(6-4-13)16(17,18)19/h3-8H,9-12H2,1-2H3
InChIKeyDDDKFFXZIGQXSC-UHFFFAOYSA-N
XLogP3.18
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 106570701
1-[1-(2-methoxyethyl)imidazol-2-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 77078626
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
CID 82558552
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 112844022
N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide
CID 46140653
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902
N-methyl-1-[4-(trifluoromethyl)phenyl]-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 55857210
3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine
CID 82558553
(2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid
CID 131905578
(3S)-N-benzyl-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 99935508
2-[1-(2-methoxyethyl)imidazol-2-yl]ethanamine
CID 62410004

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine (CID 131948411) is N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine is COCCn1ccnc1CN(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DDDKFFXZIGQXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c1-21(12-15-20-7-8-22(15)9-10-23-2)11-13-3-5-14(6-4-13)16(17,18)19/h3-8H,9-12H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 327.35 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 131948411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).