1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine

C15H17FN2 — CID 126071933

IUPAC1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine
SMILESCCn1c(C)cc(/C=N/c2ccccc2F)c1C
InChIInChI=1S/C15H17FN2/c1-4-18-11(2)9-13(12(18)3)10-17-15-8-6-5-7-14(15)16/h5-10H,4H2,1-3H3/b17-10+
InChIKeyJHRINQVKKUVVQP-LICLKQGHSA-N
MW244.31 g/mol
LogP4.01
Rot. Bonds3

About 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine (PubChem CID 126071933) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine
PubChem CID126071933
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine
SMILESCCn1c(C)cc(/C=N/c2ccccc2F)c1C
InChIInChI=1S/C15H17FN2/c1-4-18-11(2)9-13(12(18)3)10-17-15-8-6-5-7-14(15)16/h5-10H,4H2,1-3H3/b17-10+
InChIKeyJHRINQVKKUVVQP-LICLKQGHSA-N
XLogP4.01
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.01
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

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine
CID 126115155
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine
CID 126109555
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 126113111
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-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126101975
N-(4-chloro-3-nitrophenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126097836
2-[(2-fluorophenyl)iminomethyl]-6-iodo-4-methylphenol
CID 135988559
N-[4-(1-adamantyl)phenyl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126103156
N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869663
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline
CID 79604988
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
CID 126081286

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine?
The IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine (CID 126071933) is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine.
What is the SMILES notation for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine?
The canonical SMILES for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine is CCn1c(C)cc(/C=N/c2ccccc2F)c1C.
What is the InChIKey of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine?
The InChIKey is JHRINQVKKUVVQP-LICLKQGHSA-N. The full InChI is InChI=1S/C15H17FN2/c1-4-18-11(2)9-13(12(18)3)10-17-15-8-6-5-7-14(15)16/h5-10H,4H2,1-3H3/b17-10+.
What are the key properties of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine?
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine has a molecular weight of 244.31 g/mol, XLogP of 4.01, 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-(2-fluorophenyl)methanimine is sourced from PubChem (CID 126071933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).