2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde

C19H24FN3O2 — CID 171115052

IUPAC2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde
SMILESO=CCN(CCCC(O)c1ccc(F)cc1)CCNc1ccccn1
InChIInChI=1S/C19H24FN3O2/c20-17-8-6-16(7-9-17)18(25)4-3-12-23(14-15-24)13-11-22-19-5-1-2-10-21-19/h1-2,5-10,15,18,25H,3-4,11-14H2,(H,21,22)
InChIKeyBDNWMJAIKDSFEH-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.65
Rot. Bonds11

About 2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde

2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde (PubChem CID 171115052) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde
PubChem CID171115052
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde
SMILESO=CCN(CCCC(O)c1ccc(F)cc1)CCNc1ccccn1
InChIInChI=1S/C19H24FN3O2/c20-17-8-6-16(7-9-17)18(25)4-3-12-23(14-15-24)13-11-22-19-5-1-2-10-21-19/h1-2,5-10,15,18,25H,3-4,11-14H2,(H,21,22)
InChIKeyBDNWMJAIKDSFEH-UHFFFAOYSA-N
XLogP2.65
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde?
The IUPAC name of 2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde (CID 171115052) is 2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde is O=CCN(CCCC(O)c1ccc(F)cc1)CCNc1ccccn1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde?
The InChIKey is BDNWMJAIKDSFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-17-8-6-16(7-9-17)18(25)4-3-12-23(14-15-24)13-11-22-19-5-1-2-10-21-19/h1-2,5-10,15,18,25H,3-4,11-14H2,(H,21,22).
What are the key properties of 2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde?
2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde has a molecular weight of 345.42 g/mol, XLogP of 2.65, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-4-hydroxybutyl]-[2-(pyridin-2-ylamino)ethyl]amino]acetaldehyde is sourced from PubChem (CID 171115052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).