N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine

C13H13ClN2O — CID 126105875

IUPACN-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine
SMILESCOc1ccc(Cl)cc1/N=C/c1cccn1C
InChIInChI=1S/C13H13ClN2O/c1-16-7-3-4-11(16)9-15-12-8-10(14)5-6-13(12)17-2/h3-9H,1-2H3/b15-9+
InChIKeyOESIIIWQRUYATM-OQLLNIDSSA-N
MW248.71 g/mol
LogP3.44
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine

N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine (PubChem CID 126105875) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine
PubChem CID126105875
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine
SMILESCOc1ccc(Cl)cc1/N=C/c1cccn1C
InChIInChI=1S/C13H13ClN2O/c1-16-7-3-4-11(16)9-15-12-8-10(14)5-6-13(12)17-2/h3-9H,1-2H3/b15-9+
InChIKeyOESIIIWQRUYATM-OQLLNIDSSA-N
XLogP3.44
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
CID 50856568
N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine
CID 126095341
2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
CID 135498573
1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine
CID 611756
N-(5-chloro-2-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
CID 126025583
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523
N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine
CID 126106163
5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
CID 135668765
1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine
CID 3520188
methyl 5-[[3-[(5-chloro-2-methoxyphenyl)iminomethyl]indol-1-yl]methyl]furan-2-carboxylate
CID 126398791
N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860675
N'-(5-chloro-2-methoxyphenyl)propanimidamide
CID 63178327

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine (CID 126105875) is N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine is COc1ccc(Cl)cc1/N=C/c1cccn1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine?
The InChIKey is OESIIIWQRUYATM-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-16-7-3-4-11(16)9-15-12-8-10(14)5-6-13(12)17-2/h3-9H,1-2H3/b15-9+.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine?
N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine has a molecular weight of 248.71 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine is sourced from PubChem (CID 126105875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).