4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde

C19H23NO — CID 87614730

IUPAC4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde
SMILESCC(C)Cc1ccc(N(C)Cc2ccc(C=O)cc2)cc1
InChIInChI=1S/C19H23NO/c1-15(2)12-16-8-10-19(11-9-16)20(3)13-17-4-6-18(14-21)7-5-17/h4-11,14-15H,12-13H2,1-3H3
InChIKeyUUYQDMQPVOFZSJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.33
Rot. Bonds6

About 4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde

4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde (PubChem CID 87614730) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde.

Molecular Properties

Compound Name4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde
PubChem CID87614730
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde
SMILESCC(C)Cc1ccc(N(C)Cc2ccc(C=O)cc2)cc1
InChIInChI=1S/C19H23NO/c1-15(2)12-16-8-10-19(11-9-16)20(3)13-17-4-6-18(14-21)7-5-17/h4-11,14-15H,12-13H2,1-3H3
InChIKeyUUYQDMQPVOFZSJ-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[N-methyl-4-(2-methylpropyl)anilino]methanol
CID 115228791
2-[N-methyl-4-(2-methylpropyl)anilino]ethanethiol
CID 115223767
4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 61418108
4-[2-(4-formylphenyl)propyl]benzaldehyde
CID 141344923
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
4-[2-aminoethyl(methyl)amino]benzaldehyde
CID 138510674
4-[methyl(prop-2-enyl)amino]benzaldehyde
CID 71347762
hexanoic acid;4-(2-methylpropyl)benzaldehyde
CID 175010098
2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol
CID 115136839
4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde
CID 125499661
4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412166
4-[4-(2-methylpropyl)phenyl]but-3-enal
CID 170482081

Frequently Asked Questions

What is the IUPAC name of 4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde?
The IUPAC name of 4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde (CID 87614730) is 4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde.
What is the SMILES notation for 4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde?
The canonical SMILES for 4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde is CC(C)Cc1ccc(N(C)Cc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde?
The InChIKey is UUYQDMQPVOFZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15(2)12-16-8-10-19(11-9-16)20(3)13-17-4-6-18(14-21)7-5-17/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of 4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde?
4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde has a molecular weight of 281.40 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde is sourced from PubChem (CID 87614730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).