2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline

C21H22N2 — CID 141067500

IUPAC2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline
SMILESCC1=CC(CC(=NNc2ccccc2C)c2ccccc2)C=C1
InChIInChI=1S/C21H22N2/c1-16-12-13-18(14-16)15-21(19-9-4-3-5-10-19)23-22-20-11-7-6-8-17(20)2/h3-14,18,22H,15H2,1-2H3
InChIKeyUBDVZEDZOVPXME-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.33
Rot. Bonds5

About 2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline

2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline (PubChem CID 141067500) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline
PubChem CID141067500
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline
SMILESCC1=CC(CC(=NNc2ccccc2C)c2ccccc2)C=C1
InChIInChI=1S/C21H22N2/c1-16-12-13-18(14-16)15-21(19-9-4-3-5-10-19)23-22-20-11-7-6-8-17(20)2/h3-14,18,22H,15H2,1-2H3
InChIKeyUBDVZEDZOVPXME-UHFFFAOYSA-N
XLogP5.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
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

N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine
CID 141066966
N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline
CID 141067133
N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline
CID 141067292
N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine
CID 141067348
2-methoxy-N-(1-phenylpropylideneamino)aniline
CID 4990913
2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline
CID 6242685
N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline
CID 141067556
2-nitro-N-[(E)-1-phenylpropylideneamino]aniline
CID 6132206
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline
CID 9014574
methyl 3-[(Z)-N'-(2-methylanilino)carbamimidoyl]benzoate
CID 140531463
5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid
CID 8825867
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-methylaniline
CID 9014700

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline?
The IUPAC name of 2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline (CID 141067500) is 2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline?
The canonical SMILES for 2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline is CC1=CC(CC(=NNc2ccccc2C)c2ccccc2)C=C1.
What is the InChIKey of 2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline?
The InChIKey is UBDVZEDZOVPXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-16-12-13-18(14-16)15-21(19-9-4-3-5-10-19)23-22-20-11-7-6-8-17(20)2/h3-14,18,22H,15H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline?
2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline has a molecular weight of 302.42 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline is sourced from PubChem (CID 141067500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).