4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline

C19H14Cl2N2 — CID 155613055

IUPAC4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
SMILES[H]N=C1C=CC(=C(c2ccc(N)cc2)c2c(Cl)cccc2Cl)C=C1
InChIInChI=1S/C19H14Cl2N2/c20-16-2-1-3-17(21)19(16)18(12-4-8-14(22)9-5-12)13-6-10-15(23)11-7-13/h1-11,22H,23H2/b18-12-,22-14+
InChIKeyCJFAFIKCBXZRSC-CXLYJZFPSA-N
MW341.24 g/mol
LogP5.52
Rot. Bonds2

About 4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline

4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline (PubChem CID 155613055) has the molecular formula C19H14Cl2N2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
PubChem CID155613055
Molecular FormulaC19H14Cl2N2
Molecular Weight341.24 g/mol
Exact Mass340.05
IUPAC Name4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
SMILES[H]N=C1C=CC(=C(c2ccc(N)cc2)c2c(Cl)cccc2Cl)C=C1
InChIInChI=1S/C19H14Cl2N2/c20-16-2-1-3-17(21)19(16)18(12-4-8-14(22)9-5-12)13-6-10-15(23)11-7-13/h1-11,22H,23H2/b18-12-,22-14+
InChIKeyCJFAFIKCBXZRSC-CXLYJZFPSA-N
XLogP5.52
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.24
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
CID 23816707
4-[(4-iminocyclohexa-2,5-dien-1-ylidene)-(4-propylphenyl)methyl]aniline
CID 23845295
2-(2,6-dichlorophenyl)-2-(4-iminocyclohexa-2,5-dien-1-ylidene)acetonitrile
CID 143642293
4-benzhydrylidenecyclohexa-2,5-dien-1-imine
CID 67679531
[4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium
CID 91376355
4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline
CID 70648511
4-[(2,6-dichlorophenyl)-(3,5-diethyl-4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2,6-diethylaniline
CID 59773696
bis(4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline);4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;dihydrate;hydrochloride
CID 173153097
1-(4-aminophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107308085
2-[[4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulfonic acid
CID 21118850
4-(4-aminophenyl)aniline;2-chlorophenol
CID 19386561
[4-[(4-aminophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
CID 14345208

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline?
The IUPAC name of 4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline (CID 155613055) is 4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline?
The canonical SMILES for 4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline is [H]N=C1C=CC(=C(c2ccc(N)cc2)c2c(Cl)cccc2Cl)C=C1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline?
The InChIKey is CJFAFIKCBXZRSC-CXLYJZFPSA-N. The full InChI is InChI=1S/C19H14Cl2N2/c20-16-2-1-3-17(21)19(16)18(12-4-8-14(22)9-5-12)13-6-10-15(23)11-7-13/h1-11,22H,23H2/b18-12-,22-14+.
What are the key properties of 4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline?
4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline has a molecular weight of 341.24 g/mol, XLogP of 5.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline is sourced from PubChem (CID 155613055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).