1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine

C16H19FN2 — CID 126113111

IUPAC1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine
SMILESCCn1c(C)cc(/C=N/c2ccc(F)c(C)c2)c1C
InChIInChI=1S/C16H19FN2/c1-5-19-12(3)9-14(13(19)4)10-18-15-6-7-16(17)11(2)8-15/h6-10H,5H2,1-4H3/b18-10+
InChIKeyPBYANEOVJQMMRV-VCHYOVAHSA-N
MW258.34 g/mol
LogP4.32
Rot. Bonds3

About 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine (PubChem CID 126113111) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine
PubChem CID126113111
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine
SMILESCCn1c(C)cc(/C=N/c2ccc(F)c(C)c2)c1C
InChIInChI=1S/C16H19FN2/c1-5-19-12(3)9-14(13(19)4)10-18-15-6-7-16(17)11(2)8-15/h6-10H,5H2,1-4H3/b18-10+
InChIKeyPBYANEOVJQMMRV-VCHYOVAHSA-N
XLogP4.32
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126081547
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine
CID 126109555
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine
CID 126071933
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126101975
N-(4-chloro-3-nitrophenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126097836
N-[4-(1-adamantyl)phenyl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126103156
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine
CID 126115155
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50866938
4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
CID 135657407
4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol
CID 3535730
1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 126111414
N-(4-fluoro-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865604

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
The IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine (CID 126113111) is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine.
What is the SMILES notation for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
The canonical SMILES for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine is CCn1c(C)cc(/C=N/c2ccc(F)c(C)c2)c1C.
What is the InChIKey of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
The InChIKey is PBYANEOVJQMMRV-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H19FN2/c1-5-19-12(3)9-14(13(19)4)10-18-15-6-7-16(17)11(2)8-15/h6-10H,5H2,1-4H3/b18-10+.
What are the key properties of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine has a molecular weight of 258.34 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine is sourced from PubChem (CID 126113111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).