4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde

C20H23NO — CID 145192403

IUPAC4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde
SMILESCC/C(C)=C(/C)c1cc(Nc2ccc(C=O)cc2)ccc1C
InChIInChI=1S/C20H23NO/c1-5-14(2)16(4)20-12-19(9-6-15(20)3)21-18-10-7-17(13-22)8-11-18/h6-13,21H,5H2,1-4H3/b16-14-
InChIKeyUCBKJXSRTMMSPV-PEZBUJJGSA-N
MW293.41 g/mol
LogP5.75
Rot. Bonds5

About 4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde

4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde (PubChem CID 145192403) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde.

Molecular Properties

Compound Name4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde
PubChem CID145192403
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde
SMILESCC/C(C)=C(/C)c1cc(Nc2ccc(C=O)cc2)ccc1C
InChIInChI=1S/C20H23NO/c1-5-14(2)16(4)20-12-19(9-6-15(20)3)21-18-10-7-17(13-22)8-11-18/h6-13,21H,5H2,1-4H3/b16-14-
InChIKeyUCBKJXSRTMMSPV-PEZBUJJGSA-N
XLogP5.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde
CID 145192395
2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide
CID 106912167
4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde
CID 155278902
ethanol;4-hydroxybenzaldehyde
CID 172788634
5-(4-cyanoanilino)-2-methylbenzoic acid
CID 63652832
3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde
CID 123355717
3-[4-(tert-butylamino)anilino]benzaldehyde
CID 168860115
5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 90104682
5-(3-acetylanilino)-2-methylbenzoic acid
CID 155290240
chloroethane;4-hydroxybenzaldehyde
CID 174574301
4-(nonadecylamino)benzaldehyde
CID 20556317
benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine
CID 87691755

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde?
The IUPAC name of 4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde (CID 145192403) is 4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde.
What is the SMILES notation for 4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde?
The canonical SMILES for 4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde is CC/C(C)=C(/C)c1cc(Nc2ccc(C=O)cc2)ccc1C.
What is the InChIKey of 4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde?
The InChIKey is UCBKJXSRTMMSPV-PEZBUJJGSA-N. The full InChI is InChI=1S/C20H23NO/c1-5-14(2)16(4)20-12-19(9-6-15(20)3)21-18-10-7-17(13-22)8-11-18/h6-13,21H,5H2,1-4H3/b16-14-.
What are the key properties of 4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde?
4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde has a molecular weight of 293.41 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde is sourced from PubChem (CID 145192403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).