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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Related Compounds

4-(4-(Dimethylamino)benzylideneamino)phenol
CID 270039
(6E)-6-{[(2E)-2-{[4-(Dimethylamino)phenyl]methylidene}hydrazinyl]methylidene}cyclohexa-2,4-dien-1-one
CID 135497951
4-[[4-(Dimethylamino)phenyl]methylideneamino]-5-methyl-2-propan-2-ylphenol
CID 232926
4-(Diethylamino)-2-{[(3,4-dimethylphenyl)imino]methyl}phenol
CID 829292
4-[(E)-{[4-(diethylamino)phenyl]imino}methyl]phenol
CID 738977
2-[(E)-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]imino}methyl]phenol
CID 692275
4-[[4-[Benzyl(ethyl)amino]phenyl]methylideneamino]phenol
CID 2357681
5-(Diethylamino)-2-{[(3-fluoro-4-methylphenyl)imino]methyl}phenol
CID 794862
2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol
CID 69014905
2-fluoro-6-(phenyliminomethyl)-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol
CID 139552810
2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol
CID 141201241
2-(Butyliminomethyl)-6-fluoro-4-[2-(4-pyrrolidin-1-ylphenyl)ethynyl]phenol
CID 155143334

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).