Magenta Base

C20H19N3 — CID 12448

IUPAC4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline
SMILESCC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N
InChIInChI=1S/C20H19N3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,23H,21-22H2,1H3
InChIKeyYDCMWLQSPFTWCS-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.70
Rot. Bonds2

About Magenta Base

Magenta Base (PubChem CID 12448) has the molecular formula C20H19N3 and a molecular weight of 301.40 g/mol. Its IUPAC name is 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline.

Molecular Properties

Compound NameMagenta Base
PubChem CID12448
Molecular FormulaC20H19N3
Molecular Weight301.40 g/mol
Exact Mass301.16
IUPAC Name4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline
SMILESCC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N
InChIInChI=1S/C20H19N3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,23H,21-22H2,1H3
InChIKeyYDCMWLQSPFTWCS-UHFFFAOYSA-N
XLogP3.70
TPSA75.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity515

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Crystal Violet
CID 11057
4,4-Diaminodiphenylmethane
CID 7577
o-Tolidine
CID 8413
Benzidine
CID 7111
Malachite Green
CID 11294
4-Aminobiphenyl
CID 7102
Solvent Yellow 34
CID 10298
Pararosaniline Hydrochloride
CID 11292
Gentian violet cation
CID 3468
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
C.I. Basic Yellow 2
CID 17170
4,4'-Methylenedianiline dihydrochloride
CID 26108

Frequently Asked Questions

What is the IUPAC name of Magenta Base?
The IUPAC name of Magenta Base (CID 12448) is 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline.
What is the SMILES notation for Magenta Base?
The canonical SMILES for Magenta Base is CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.
What is the InChIKey of Magenta Base?
The InChIKey is YDCMWLQSPFTWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,23H,21-22H2,1H3.
What are the key properties of Magenta Base?
Magenta Base has a molecular weight of 301.40 g/mol, XLogP of 3.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Magenta Base is sourced from PubChem (CID 12448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).