N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline

C18H17N3 — CID 50857555

IUPACN-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline
SMILESCc1cc(/C=N\Nc2ccccc2)cn1-c1ccccc1
InChIInChI=1S/C18H17N3/c1-15-12-16(13-19-20-17-8-4-2-5-9-17)14-21(15)18-10-6-3-7-11-18/h2-14,20H,1H3/b19-13-
InChIKeyXONCZZHMEXHYJD-UYRXBGFRSA-N
MW275.36 g/mol
LogP4.23
Rot. Bonds4

About N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline

N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline (PubChem CID 50857555) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline
PubChem CID50857555
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline
SMILESCc1cc(/C=N\Nc2ccccc2)cn1-c1ccccc1
InChIInChI=1S/C18H17N3/c1-15-12-16(13-19-20-17-8-4-2-5-9-17)14-21(15)18-10-6-3-7-11-18/h2-14,20H,1H3/b19-13-
InChIKeyXONCZZHMEXHYJD-UYRXBGFRSA-N
XLogP4.23
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50857574
2-chloro-4-methyl-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50857524
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192
N-(4-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine
CID 50857580
N-(3-iodophenyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine
CID 50857501
1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine
CID 50857772
N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
CID 71145982
N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline
CID 169382287
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
2-methoxy-4-methyl-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50857495
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840189
2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 50857477

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline?
The IUPAC name of N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline (CID 50857555) is N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline.
What is the SMILES notation for N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline?
The canonical SMILES for N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline is Cc1cc(/C=N\Nc2ccccc2)cn1-c1ccccc1.
What is the InChIKey of N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline?
The InChIKey is XONCZZHMEXHYJD-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H17N3/c1-15-12-16(13-19-20-17-8-4-2-5-9-17)14-21(15)18-10-6-3-7-11-18/h2-14,20H,1H3/b19-13-.
What are the key properties of N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline?
N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline has a molecular weight of 275.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 50857555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).