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

C16H17NO2 — CID 55038382

IUPAC4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde
SMILESCc1cc(N(Cc2ccco2)C2CC2)ccc1C=O
InChIInChI=1S/C16H17NO2/c1-12-9-15(5-4-13(12)11-18)17(14-6-7-14)10-16-3-2-8-19-16/h2-5,8-9,11,14H,6-7,10H2,1H3
InChIKeyQIHFVCWFZSUJRU-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.57
Rot. Bonds5

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

4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde (PubChem CID 55038382) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde
PubChem CID55038382
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde
SMILESCc1cc(N(Cc2ccco2)C2CC2)ccc1C=O
InChIInChI=1S/C16H17NO2/c1-12-9-15(5-4-13(12)11-18)17(14-6-7-14)10-16-3-2-8-19-16/h2-5,8-9,11,14H,6-7,10H2,1H3
InChIKeyQIHFVCWFZSUJRU-UHFFFAOYSA-N
XLogP3.57
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.57
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-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde
CID 55003500
2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 62946093
4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbenzoic acid
CID 62120263
[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
CID 62122235
N-cyclopropyl-3-fluoro-N-(furan-2-ylmethyl)-5-nitroaniline
CID 80753176
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine
CID 115773896
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
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde?
The IUPAC name of 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde (CID 55038382) is 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde.
What is the SMILES notation for 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde?
The canonical SMILES for 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde is Cc1cc(N(Cc2ccco2)C2CC2)ccc1C=O.
What is the InChIKey of 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde?
The InChIKey is QIHFVCWFZSUJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-9-15(5-4-13(12)11-18)17(14-6-7-14)10-16-3-2-8-19-16/h2-5,8-9,11,14H,6-7,10H2,1H3.
What are the key properties of 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde?
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde has a molecular weight of 255.32 g/mol, XLogP of 3.57, 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]-2-methylbenzaldehyde is sourced from PubChem (CID 55038382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).