N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide

C19H21F3N2O2 — CID 129274660

IUPACN'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide
SMILESCOc1cc(/N=C/N(C)C)c(C)cc1C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H21F3N2O2/c1-13-10-15(17(26-4)11-16(13)23-12-24(2)3)18(25,19(20,21)22)14-8-6-5-7-9-14/h5-12,25H,1-4H3/b23-12+
InChIKeyGJWYWNOMDWOLCN-FSJBWODESA-N
MW366.38 g/mol
LogP4.02
Rot. Bonds5

About N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide

N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide (PubChem CID 129274660) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide
PubChem CID129274660
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide
SMILESCOc1cc(/N=C/N(C)C)c(C)cc1C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H21F3N2O2/c1-13-10-15(17(26-4)11-16(13)23-12-24(2)3)18(25,19(20,21)22)14-8-6-5-7-9-14/h5-12,25H,1-4H3/b23-12+
InChIKeyGJWYWNOMDWOLCN-FSJBWODESA-N
XLogP4.02
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide (CID 129274660) is N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide is COc1cc(/N=C/N(C)C)c(C)cc1C(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide?
The InChIKey is GJWYWNOMDWOLCN-FSJBWODESA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-13-10-15(17(26-4)11-16(13)23-12-24(2)3)18(25,19(20,21)22)14-8-6-5-7-9-14/h5-12,25H,1-4H3/b23-12+.
What are the key properties of N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide?
N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide has a molecular weight of 366.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 129274660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).