4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline

C12H13N3 — CID 136704705

IUPAC4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline
SMILESCc1ccc(NN=Cc2ccc[nH]2)cc1
InChIInChI=1S/C12H13N3/c1-10-4-6-11(7-5-10)15-14-9-12-3-2-8-13-12/h2-9,13,15H,1H3
InChIKeyFRKIZTGQGLDIKA-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.77
Rot. Bonds3

About 4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline

4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline (PubChem CID 136704705) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline.

Molecular Properties

Compound Name4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline
PubChem CID136704705
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline
SMILESCc1ccc(NN=Cc2ccc[nH]2)cc1
InChIInChI=1S/C12H13N3/c1-10-4-6-11(7-5-10)15-14-9-12-3-2-8-13-12/h2-9,13,15H,1H3
InChIKeyFRKIZTGQGLDIKA-UHFFFAOYSA-N
XLogP2.77
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-ethyl-3-[(E)-1H-pyrrol-2-ylmethylideneamino]thiourea
CID 135468189
1-methyl-3-[(E)-1H-pyrrol-2-ylmethylideneamino]thiourea
CID 137156420
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine
CID 136809709
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine
CID 137127491
methyl N-[(E)-1H-pyrrol-2-ylmethylideneamino]carbamate
CID 135644237
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline
CID 9059516
2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline
CID 135620066
2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135688246
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-N'-[(Z)-1H-pyrrol-2-ylmethylideneamino]butanediamide
CID 136826339
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 5175441
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-methylaniline
CID 9059450

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline?
The IUPAC name of 4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline (CID 136704705) is 4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline.
What is the SMILES notation for 4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline?
The canonical SMILES for 4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline is Cc1ccc(NN=Cc2ccc[nH]2)cc1.
What is the InChIKey of 4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline?
The InChIKey is FRKIZTGQGLDIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-10-4-6-11(7-5-10)15-14-9-12-3-2-8-13-12/h2-9,13,15H,1H3.
What are the key properties of 4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline?
4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline has a molecular weight of 199.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline is sourced from PubChem (CID 136704705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).