4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde

C15H15NO2 — CID 55003500

IUPAC4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde
SMILESO=Cc1ccc(N(Cc2ccco2)C2CC2)cc1
InChIInChI=1S/C15H15NO2/c17-11-12-3-5-13(6-4-12)16(14-7-8-14)10-15-2-1-9-18-15/h1-6,9,11,14H,7-8,10H2
InChIKeySXKCQYISHDGUGL-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.26
Rot. Bonds5

About 4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde

4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde (PubChem CID 55003500) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde
PubChem CID55003500
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde
SMILESO=Cc1ccc(N(Cc2ccco2)C2CC2)cc1
InChIInChI=1S/C15H15NO2/c17-11-12-3-5-13(6-4-12)16(14-7-8-14)10-15-2-1-9-18-15/h1-6,9,11,14H,7-8,10H2
InChIKeySXKCQYISHDGUGL-UHFFFAOYSA-N
XLogP3.26
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 55038382
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 62946093
N-cyclopropyl-3-fluoro-N-(furan-2-ylmethyl)-5-nitroaniline
CID 80753176
[3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol
CID 106529823
6-(1-aminopropyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-3-amine
CID 115939467
3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline
CID 106532772
3-amino-2-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 115934626
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine
CID 104533818
4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide
CID 62927141
4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbenzoic acid
CID 62120263

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde?
The IUPAC name of 4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde (CID 55003500) is 4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde.
What is the SMILES notation for 4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde?
The canonical SMILES for 4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde is O=Cc1ccc(N(Cc2ccco2)C2CC2)cc1.
What is the InChIKey of 4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde?
The InChIKey is SXKCQYISHDGUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-11-12-3-5-13(6-4-12)16(14-7-8-14)10-15-2-1-9-18-15/h1-6,9,11,14H,7-8,10H2.
What are the key properties of 4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde?
4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde has a molecular weight of 241.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde is sourced from PubChem (CID 55003500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).