2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol

C19H19F3N2O2 — CID 137172223

IUPAC2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCOc1cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)ccc1O
InChIInChI=1S/C19H19F3N2O2/c1-26-18-10-13(4-7-17(18)25)12-23-15-11-14(19(20,21)22)5-6-16(15)24-8-2-3-9-24/h4-7,10-12,25H,2-3,8-9H2,1H3/b23-12+
InChIKeyWQJYRVYLDTYCLF-FSJBWODESA-N
MW364.37 g/mol
LogP4.77
Rot. Bonds4

About 2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol

2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 137172223) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID137172223
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCOc1cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)ccc1O
InChIInChI=1S/C19H19F3N2O2/c1-26-18-10-13(4-7-17(18)25)12-23-15-11-14(19(20,21)22)5-6-16(15)24-8-2-3-9-24/h4-7,10-12,25H,2-3,8-9H2,1H3/b23-12+
InChIKeyWQJYRVYLDTYCLF-FSJBWODESA-N
XLogP4.77
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol
CID 3680160
4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3467831
4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 620472
4-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 693352
2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 769823
4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
4-hydroxy-3-methoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 993001
4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135641493
4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 136690058
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole-5-carboxamide
CID 5123231
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 137172223) is 2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol is COc1cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is WQJYRVYLDTYCLF-FSJBWODESA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-26-18-10-13(4-7-17(18)25)12-23-15-11-14(19(20,21)22)5-6-16(15)24-8-2-3-9-24/h4-7,10-12,25H,2-3,8-9H2,1H3/b23-12+.
What are the key properties of 2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 364.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 137172223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).