2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde

C15H23NO3 — CID 114525440

IUPAC2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCCCN(C)C)c1
InChIInChI=1S/C15H23NO3/c1-4-9-18-14-7-6-13(12-17)15(11-14)19-10-5-8-16(2)3/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeyGJYSIHDXICLVRA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.62
Rot. Bonds9

About 2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde

2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde (PubChem CID 114525440) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
PubChem CID114525440
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCCCN(C)C)c1
InChIInChI=1S/C15H23NO3/c1-4-9-18-14-7-6-13(12-17)15(11-14)19-10-5-8-16(2)3/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeyGJYSIHDXICLVRA-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2-(3-ethylsulfonylpropoxy)-4-propoxybenzaldehyde
CID 65092966
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
2-[3-(dimethylamino)propoxy]-4-propoxybenzoic acid
CID 114525459
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
4-propoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde
CID 116616036
2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43388394
2-(2-ethyl-2-hydroxybutoxy)-4-propoxybenzaldehyde
CID 114493979
2-(cyclobutylmethoxy)-4-propoxybenzaldehyde
CID 65459200
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
CID 114526282

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde?
The IUPAC name of 2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde (CID 114525440) is 2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde.
What is the SMILES notation for 2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde?
The canonical SMILES for 2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCCCN(C)C)c1.
What is the InChIKey of 2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde?
The InChIKey is GJYSIHDXICLVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-9-18-14-7-6-13(12-17)15(11-14)19-10-5-8-16(2)3/h6-7,11-12H,4-5,8-10H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde?
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde has a molecular weight of 265.35 g/mol, XLogP of 2.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde is sourced from PubChem (CID 114525440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).