2-[5-(dimethylamino)pentoxy]benzaldehyde

C14H21NO2 — CID 21404637

IUPAC2-[5-(dimethylamino)pentoxy]benzaldehyde
SMILESCN(C)CCCCCOc1ccccc1C=O
InChIInChI=1S/C14H21NO2/c1-15(2)10-6-3-7-11-17-14-9-5-4-8-13(14)12-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyYWVSFKHJPXCNEO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.61
Rot. Bonds8

About 2-[5-(dimethylamino)pentoxy]benzaldehyde

2-[5-(dimethylamino)pentoxy]benzaldehyde (PubChem CID 21404637) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[5-(dimethylamino)pentoxy]benzaldehyde.

Molecular Properties

Compound Name2-[5-(dimethylamino)pentoxy]benzaldehyde
PubChem CID21404637
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[5-(dimethylamino)pentoxy]benzaldehyde
SMILESCN(C)CCCCCOc1ccccc1C=O
InChIInChI=1S/C14H21NO2/c1-15(2)10-6-3-7-11-17-14-9-5-4-8-13(14)12-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyYWVSFKHJPXCNEO-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide
CID 82037026
N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide
CID 134050472
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
CID 175203615
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
3-(2-formylphenoxy)propane-1-sulfonic acid
CID 14946404
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylamino)pentoxy]benzaldehyde?
The IUPAC name of 2-[5-(dimethylamino)pentoxy]benzaldehyde (CID 21404637) is 2-[5-(dimethylamino)pentoxy]benzaldehyde.
What is the SMILES notation for 2-[5-(dimethylamino)pentoxy]benzaldehyde?
The canonical SMILES for 2-[5-(dimethylamino)pentoxy]benzaldehyde is CN(C)CCCCCOc1ccccc1C=O.
What is the InChIKey of 2-[5-(dimethylamino)pentoxy]benzaldehyde?
The InChIKey is YWVSFKHJPXCNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(2)10-6-3-7-11-17-14-9-5-4-8-13(14)12-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2-[5-(dimethylamino)pentoxy]benzaldehyde?
2-[5-(dimethylamino)pentoxy]benzaldehyde has a molecular weight of 235.33 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylamino)pentoxy]benzaldehyde is sourced from PubChem (CID 21404637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).