4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol

C18H19FN2O — CID 4654883

IUPAC4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol
SMILESCc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(O)cc1
InChIInChI=1S/C18H19FN2O/c1-13-10-18(21-8-2-3-9-21)17(19)11-14(13)12-20-15-4-6-16(22)7-5-15/h4-7,10-12,22H,2-3,8-9H2,1H3/b20-12+
InChIKeyMVHUOKNNUSTOON-UDWIEESQSA-N
MW298.36 g/mol
LogP4.19
Rot. Bonds3

About 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol

4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol (PubChem CID 4654883) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol
PubChem CID4654883
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol
SMILESCc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(O)cc1
InChIInChI=1S/C18H19FN2O/c1-13-10-18(21-8-2-3-9-21)17(19)11-14(13)12-20-15-4-6-16(22)7-5-15/h4-7,10-12,22H,2-3,8-9H2,1H3/b20-12+
InChIKeyMVHUOKNNUSTOON-UDWIEESQSA-N
XLogP4.19
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol?
The IUPAC name of 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol (CID 4654883) is 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol.
What is the SMILES notation for 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol?
The canonical SMILES for 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol is Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(O)cc1.
What is the InChIKey of 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol?
The InChIKey is MVHUOKNNUSTOON-UDWIEESQSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-13-10-18(21-8-2-3-9-21)17(19)11-14(13)12-20-15-4-6-16(22)7-5-15/h4-7,10-12,22H,2-3,8-9H2,1H3/b20-12+.
What are the key properties of 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol?
4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol has a molecular weight of 298.36 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol is sourced from PubChem (CID 4654883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).