N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide

C19H21F3N2 — CID 58214412

IUPACN'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(-c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C19H21F3N2/c1-5-24(4)12-23-18-11-13(2)17(10-14(18)3)15-6-8-16(9-7-15)19(20,21)22/h6-12H,5H2,1-4H3/b23-12+
InChIKeyUUBSCWQKYYLQFE-FSJBWODESA-N
MW334.39 g/mol
LogP5.60
Rot. Bonds4

About N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 58214412) has the molecular formula C19H21F3N2 and a molecular weight of 334.39 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID58214412
Molecular FormulaC19H21F3N2
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(-c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C19H21F3N2/c1-5-24(4)12-23-18-11-13(2)17(10-14(18)3)15-6-8-16(9-7-15)19(20,21)22/h6-12H,5H2,1-4H3/b23-12+
InChIKeyUUBSCWQKYYLQFE-FSJBWODESA-N
XLogP5.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.39
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-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'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide (CID 58214412) is N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(-c2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is UUBSCWQKYYLQFE-FSJBWODESA-N. The full InChI is InChI=1S/C19H21F3N2/c1-5-24(4)12-23-18-11-13(2)17(10-14(18)3)15-6-8-16(9-7-15)19(20,21)22/h6-12H,5H2,1-4H3/b23-12+.
What are the key properties of N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 334.39 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 58214412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).