N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C20H29F3N2O2 — CID 129274655

IUPACN'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(C(O)(C2CCCCC2)C(F)(F)F)cc1C
InChIInChI=1S/C20H29F3N2O2/c1-5-25(3)13-24-17-12-18(27-4)16(11-14(17)2)19(26,20(21,22)23)15-9-7-6-8-10-15/h11-13,15,26H,5-10H2,1-4H3/b24-13+
InChIKeyVHTVTBLCISOIPI-ZMOGYAJESA-N
MW386.46 g/mol
LogP4.95
Rot. Bonds6

About N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 129274655) has the molecular formula C20H29F3N2O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID129274655
Molecular FormulaC20H29F3N2O2
Molecular Weight386.46 g/mol
Exact Mass386.22
IUPAC NameN'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(C(O)(C2CCCCC2)C(F)(F)F)cc1C
InChIInChI=1S/C20H29F3N2O2/c1-5-25(3)13-24-17-12-18(27-4)16(11-14(17)2)19(26,20(21,22)23)15-9-7-6-8-10-15/h11-13,15,26H,5-10H2,1-4H3/b24-13+
InChIKeyVHTVTBLCISOIPI-ZMOGYAJESA-N
XLogP4.95
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.95
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'}

Analyze N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 129274655) is N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(OC)c(C(O)(C2CCCCC2)C(F)(F)F)cc1C.
What is the InChIKey of N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is VHTVTBLCISOIPI-ZMOGYAJESA-N. The full InChI is InChI=1S/C20H29F3N2O2/c1-5-25(3)13-24-17-12-18(27-4)16(11-14(17)2)19(26,20(21,22)23)15-9-7-6-8-10-15/h11-13,15,26H,5-10H2,1-4H3/b24-13+.
What are the key properties of N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 386.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 129274655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).