2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol

C18H17F3N2O — CID 692275

IUPAC2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)14-7-8-16(23-9-3-4-10-23)15(11-14)22-12-13-5-1-2-6-17(13)24/h1-2,5-8,11-12,24H,3-4,9-10H2/b22-12+
InChIKeyHECWVXVNBSXDQB-WSDLNYQXSA-N
MW334.34 g/mol
LogP4.76
Rot. Bonds3

About 2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol

2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 692275) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID692275
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)14-7-8-16(23-9-3-4-10-23)15(11-14)22-12-13-5-1-2-6-17(13)24/h1-2,5-8,11-12,24H,3-4,9-10H2/b22-12+
InChIKeyHECWVXVNBSXDQB-WSDLNYQXSA-N
XLogP4.76
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol 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 2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 692275) is 2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1.
What is the InChIKey of 2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is HECWVXVNBSXDQB-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)14-7-8-16(23-9-3-4-10-23)15(11-14)22-12-13-5-1-2-6-17(13)24/h1-2,5-8,11-12,24H,3-4,9-10H2/b22-12+.
What are the key properties of 2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 334.34 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 692275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).