4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline

C20H21N3O — CID 50855638

IUPAC4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline
SMILESCOc1ccc(-n2ccc(/C=N/c3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C20H21N3O/c1-22(2)18-6-4-17(5-7-18)21-14-16-12-13-23(15-16)19-8-10-20(24-3)11-9-19/h4-15H,1-3H3/b21-14+
InChIKeyOKAGPZHUAMOQCD-KGENOOAVSA-N
MW319.41 g/mol
LogP4.30
Rot. Bonds5

About 4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline

4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline (PubChem CID 50855638) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline
PubChem CID50855638
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline
SMILESCOc1ccc(-n2ccc(/C=N/c3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C20H21N3O/c1-22(2)18-6-4-17(5-7-18)21-14-16-12-13-23(15-16)19-8-10-20(24-3)11-9-19/h4-15H,1-3H3/b21-14+
InChIKeyOKAGPZHUAMOQCD-KGENOOAVSA-N
XLogP4.30
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
CID 50855511
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
CID 50855445
N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
CID 50855266
1-[1-(4-methoxyphenyl)pyrrol-3-yl]-N-[4-(4-nitrophenyl)sulfanylphenyl]methanimine
CID 50855596
(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
CID 102305273
4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline
CID 102311282
N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine
CID 50855490
N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50855402
N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854805
2-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]indene-1,3-dione
CID 50855335
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline?
The IUPAC name of 4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline (CID 50855638) is 4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline?
The canonical SMILES for 4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline is COc1ccc(-n2ccc(/C=N/c3ccc(N(C)C)cc3)c2)cc1.
What is the InChIKey of 4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline?
The InChIKey is OKAGPZHUAMOQCD-KGENOOAVSA-N. The full InChI is InChI=1S/C20H21N3O/c1-22(2)18-6-4-17(5-7-18)21-14-16-12-13-23(15-16)19-8-10-20(24-3)11-9-19/h4-15H,1-3H3/b21-14+.
What are the key properties of 4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline?
4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline has a molecular weight of 319.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline is sourced from PubChem (CID 50855638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).