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

C15H18N2 — CID 126109555

IUPAC1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine
SMILESCCn1c(C)cc(/C=N/c2ccccc2)c1C
InChIInChI=1S/C15H18N2/c1-4-17-12(2)10-14(13(17)3)11-16-15-8-6-5-7-9-15/h5-11H,4H2,1-3H3/b16-11+
InChIKeyXMNUJOIDIKAYPA-LFIBNONCSA-N
MW226.32 g/mol
LogP3.88
Rot. Bonds3

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

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine (PubChem CID 126109555) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine
PubChem CID126109555
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine
SMILESCCn1c(C)cc(/C=N/c2ccccc2)c1C
InChIInChI=1S/C15H18N2/c1-4-17-12(2)10-14(13(17)3)11-16-15-8-6-5-7-9-15/h5-11H,4H2,1-3H3/b16-11+
InChIKeyXMNUJOIDIKAYPA-LFIBNONCSA-N
XLogP3.88
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.88
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-(2-fluorophenyl)methanimine
CID 126071933
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126101975
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
N-[4-(1-adamantyl)phenyl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126103156
N-(4-chloro-3-nitrophenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126097836
3-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-phenylprop-2-enenitrile
CID 3959154
N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine
CID 3123643
(5Z)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126125335
1-(2-ethylphenyl)-N-phenylmethanimine
CID 23340918
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine
CID 2321774

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine?
The IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine (CID 126109555) is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine.
What is the SMILES notation for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine?
The canonical SMILES for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine is CCn1c(C)cc(/C=N/c2ccccc2)c1C.
What is the InChIKey of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine?
The InChIKey is XMNUJOIDIKAYPA-LFIBNONCSA-N. The full InChI is InChI=1S/C15H18N2/c1-4-17-12(2)10-14(13(17)3)11-16-15-8-6-5-7-9-15/h5-11H,4H2,1-3H3/b16-11+.
What are the key properties of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine?
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine has a molecular weight of 226.32 g/mol, XLogP of 3.88, 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-phenylmethanimine is sourced from PubChem (CID 126109555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).