4-(dipropylamino)-3-methoxybenzaldehyde

C14H21NO2 — CID 166632038

IUPAC4-(dipropylamino)-3-methoxybenzaldehyde
SMILESCCCN(CCC)c1ccc(C=O)cc1OC
InChIInChI=1S/C14H21NO2/c1-4-8-15(9-5-2)13-7-6-12(11-16)10-14(13)17-3/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyBKBVQEWUQODUAA-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.13
Rot. Bonds7

About 4-(dipropylamino)-3-methoxybenzaldehyde

4-(dipropylamino)-3-methoxybenzaldehyde (PubChem CID 166632038) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(dipropylamino)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(dipropylamino)-3-methoxybenzaldehyde
PubChem CID166632038
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(dipropylamino)-3-methoxybenzaldehyde
SMILESCCCN(CCC)c1ccc(C=O)cc1OC
InChIInChI=1S/C14H21NO2/c1-4-8-15(9-5-2)13-7-6-12(11-16)10-14(13)17-3/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyBKBVQEWUQODUAA-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(dipropylamino)-3-methoxybenzaldehyde?
The IUPAC name of 4-(dipropylamino)-3-methoxybenzaldehyde (CID 166632038) is 4-(dipropylamino)-3-methoxybenzaldehyde.
What is the SMILES notation for 4-(dipropylamino)-3-methoxybenzaldehyde?
The canonical SMILES for 4-(dipropylamino)-3-methoxybenzaldehyde is CCCN(CCC)c1ccc(C=O)cc1OC.
What is the InChIKey of 4-(dipropylamino)-3-methoxybenzaldehyde?
The InChIKey is BKBVQEWUQODUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-8-15(9-5-2)13-7-6-12(11-16)10-14(13)17-3/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 4-(dipropylamino)-3-methoxybenzaldehyde?
4-(dipropylamino)-3-methoxybenzaldehyde has a molecular weight of 235.33 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-3-methoxybenzaldehyde is sourced from PubChem (CID 166632038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).