4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde

C16H25NO3 — CID 178140157

IUPAC4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde
SMILESCOC(C)CCC(C)N(C)Cc1cc(O)ccc1C=O
InChIInChI=1S/C16H25NO3/c1-12(5-6-13(2)20-4)17(3)10-15-9-16(19)8-7-14(15)11-18/h7-9,11-13,19H,5-6,10H2,1-4H3
InChIKeyWZHQACRFRJKJDM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.84
Rot. Bonds8

About 4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde

4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde (PubChem CID 178140157) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde
PubChem CID178140157
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde
SMILESCOC(C)CCC(C)N(C)Cc1cc(O)ccc1C=O
InChIInChI=1S/C16H25NO3/c1-12(5-6-13(2)20-4)17(3)10-15-9-16(19)8-7-14(15)11-18/h7-9,11-13,19H,5-6,10H2,1-4H3
InChIKeyWZHQACRFRJKJDM-UHFFFAOYSA-N
XLogP2.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde?
The IUPAC name of 4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde (CID 178140157) is 4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde.
What is the SMILES notation for 4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde?
The canonical SMILES for 4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde is COC(C)CCC(C)N(C)Cc1cc(O)ccc1C=O.
What is the InChIKey of 4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde?
The InChIKey is WZHQACRFRJKJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(5-6-13(2)20-4)17(3)10-15-9-16(19)8-7-14(15)11-18/h7-9,11-13,19H,5-6,10H2,1-4H3.
What are the key properties of 4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde?
4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde has a molecular weight of 279.38 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde is sourced from PubChem (CID 178140157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).