6-anilino-8-(4-methylphenyl)octanal

C21H27NO — CID 142470115

IUPAC6-anilino-8-(4-methylphenyl)octanal
SMILESCc1ccc(CCC(CCCCC=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H27NO/c1-18-11-13-19(14-12-18)15-16-21(10-6-3-7-17-23)22-20-8-4-2-5-9-20/h2,4-5,8-9,11-14,17,21-22H,3,6-7,10,15-16H2,1H3
InChIKeyFLKYEVHMYHSSBR-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.17
Rot. Bonds10

About 6-anilino-8-(4-methylphenyl)octanal

6-anilino-8-(4-methylphenyl)octanal (PubChem CID 142470115) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 6-anilino-8-(4-methylphenyl)octanal.

Molecular Properties

Compound Name6-anilino-8-(4-methylphenyl)octanal
PubChem CID142470115
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name6-anilino-8-(4-methylphenyl)octanal
SMILESCc1ccc(CCC(CCCCC=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H27NO/c1-18-11-13-19(14-12-18)15-16-21(10-6-3-7-17-23)22-20-8-4-2-5-9-20/h2,4-5,8-9,11-14,17,21-22H,3,6-7,10,15-16H2,1H3
InChIKeyFLKYEVHMYHSSBR-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)butanal
CID 12719282
bromobenzene;3-(4-methylphenyl)propanal
CID 145170933
3-[4-(4-methylphenyl)phenyl]propanal
CID 145376842
2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide
CID 47005814
N-tridecan-6-ylaniline
CID 151143089
[1-(4-methylphenyl)-4-phenylbutan-2-yl]hydrazine
CID 105205750
1-(4-methylphenyl)nonan-3-ylhydrazine
CID 105293919
4-methoxy-N-(1-phenylheptan-3-yl)aniline
CID 85304689
5-(4-methylanilino)pentanal
CID 89217806
ethane;methanamine;11-phenylundecanal
CID 153398504
4-(methylamino)-5-(4-methylphenyl)pentanal
CID 144898654
3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid
CID 67359751

Frequently Asked Questions

What is the IUPAC name of 6-anilino-8-(4-methylphenyl)octanal?
The IUPAC name of 6-anilino-8-(4-methylphenyl)octanal (CID 142470115) is 6-anilino-8-(4-methylphenyl)octanal.
What is the SMILES notation for 6-anilino-8-(4-methylphenyl)octanal?
The canonical SMILES for 6-anilino-8-(4-methylphenyl)octanal is Cc1ccc(CCC(CCCCC=O)Nc2ccccc2)cc1.
What is the InChIKey of 6-anilino-8-(4-methylphenyl)octanal?
The InChIKey is FLKYEVHMYHSSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-18-11-13-19(14-12-18)15-16-21(10-6-3-7-17-23)22-20-8-4-2-5-9-20/h2,4-5,8-9,11-14,17,21-22H,3,6-7,10,15-16H2,1H3.
What are the key properties of 6-anilino-8-(4-methylphenyl)octanal?
6-anilino-8-(4-methylphenyl)octanal has a molecular weight of 309.45 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-8-(4-methylphenyl)octanal is sourced from PubChem (CID 142470115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).