N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide

C18H19F3N2O — CID 58580467

IUPACN'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide
SMILESC/N=C(\COCc1ccccc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O/c1-22-17(13-24-12-15-5-3-2-4-6-15)23-11-14-7-9-16(10-8-14)18(19,20)21/h2-10H,11-13H2,1H3,(H,22,23)
InChIKeyXHSVYZJGAXNLKK-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.04
Rot. Bonds6

About N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide

N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide (PubChem CID 58580467) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide
PubChem CID58580467
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide
SMILESC/N=C(\COCc1ccccc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O/c1-22-17(13-24-12-15-5-3-2-4-6-15)23-11-14-7-9-16(10-8-14)18(19,20)21/h2-10H,11-13H2,1H3,(H,22,23)
InChIKeyXHSVYZJGAXNLKK-UHFFFAOYSA-N
XLogP4.04
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Acetamidine, N,N'-dipropyl-2-ethoxy-2-phenyl-
CID 47203
3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine
CID 118064
3,4,5,6-Tetrahydro-5,5-diethyl-2-(alpha-ethoxybenzyl)pyrimidine
CID 118037
3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine
CID 118040
3,4,5,6-Tetrahydro-2-(alpha-ethoxybenzyl)pyrimidine
CID 118046
3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine
CID 118051
3,4,5,6-Tetrahydro-2-(alpha-ethoxy-4-methylbenzyl)pyrimidine
CID 118052
3,4,5,6-Tetrahydro-2-(alpha-propoxybenzyl)pyrimidine
CID 118054
Pyrimidine, 3,4,5,6-tetrahydro-2-(alpha-ethoxy-4-isopropylbenzyl)-
CID 118056
2-(Butoxyphenylmethyl)-1,4,5,6-tetrahydropyrimidine
CID 118057
Pyrimidine, 3,4,5,6-tetrahydro-2-(alpha-ethoxybenzyl)-5-ethyl-5-methyl-
CID 118062
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole
CID 10158825

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide?
The IUPAC name of N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide (CID 58580467) is N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide.
What is the SMILES notation for N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide?
The canonical SMILES for N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide is C/N=C(\COCc1ccccc1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide?
The InChIKey is XHSVYZJGAXNLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-22-17(13-24-12-15-5-3-2-4-6-15)23-11-14-7-9-16(10-8-14)18(19,20)21/h2-10H,11-13H2,1H3,(H,22,23).
What are the key properties of N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide?
N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide has a molecular weight of 336.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-phenylmethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide is sourced from PubChem (CID 58580467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).