4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline

C20H18N2 — CID 70648511

IUPAC4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline
SMILESCN=C1C=CC(=C(c2ccccc2)c2ccc(N)cc2)C=C1
InChIInChI=1S/C20H18N2/c1-22-19-13-9-17(10-14-19)20(15-5-3-2-4-6-15)16-7-11-18(21)12-8-16/h2-14H,21H2,1H3/b20-17-,22-19+
InChIKeyGOGDHFKUBUFBDC-NEVXJGNOSA-N
MW286.38 g/mol
LogP4.27
Rot. Bonds2

About 4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline

4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline (PubChem CID 70648511) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline.

Molecular Properties

Compound Name4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline
PubChem CID70648511
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline
SMILESCN=C1C=CC(=C(c2ccccc2)c2ccc(N)cc2)C=C1
InChIInChI=1S/C20H18N2/c1-22-19-13-9-17(10-14-19)20(15-5-3-2-4-6-15)16-7-11-18(21)12-8-16/h2-14H,21H2,1H3/b20-17-,22-19+
InChIKeyGOGDHFKUBUFBDC-NEVXJGNOSA-N
XLogP4.27
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
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-[[4-(methylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
CID 101427600
4-[(4-aminophenyl)-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
CID 18939149
[4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium
CID 91376355
4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride
CID 21118148
2-[[4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulfonic acid
CID 21118850
bis([4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
CID 90660777
4-[(Z)-N-[(Z)-[(4-aminophenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]aniline
CID 6871279
4-benzhydrylidenecyclohexa-2,5-dien-1-imine
CID 67679531
4-[(3-chlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
CID 23816707
N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine
CID 59972283
N-methyl-4-[(2E,4E)-5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-imine
CID 20686379
(4-aminophenyl)-phenylmethanone
CID 14346

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline?
The IUPAC name of 4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline (CID 70648511) is 4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline.
What is the SMILES notation for 4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline?
The canonical SMILES for 4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline is CN=C1C=CC(=C(c2ccccc2)c2ccc(N)cc2)C=C1.
What is the InChIKey of 4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline?
The InChIKey is GOGDHFKUBUFBDC-NEVXJGNOSA-N. The full InChI is InChI=1S/C20H18N2/c1-22-19-13-9-17(10-14-19)20(15-5-3-2-4-6-15)16-7-11-18(21)12-8-16/h2-14H,21H2,1H3/b20-17-,22-19+.
What are the key properties of 4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline?
4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline has a molecular weight of 286.38 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline is sourced from PubChem (CID 70648511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).