5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde

C14H14FNO2 — CID 61426683

IUPAC5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
SMILESCc1occc1CN(C)c1ccc(F)cc1C=O
InChIInChI=1S/C14H14FNO2/c1-10-11(5-6-18-10)8-16(2)14-4-3-13(15)7-12(14)9-17/h3-7,9H,8H2,1-2H3
InChIKeyMEUFOXWTIWYBFV-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.18
Rot. Bonds4

About 5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde

5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde (PubChem CID 61426683) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
PubChem CID61426683
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
SMILESCc1occc1CN(C)c1ccc(F)cc1C=O
InChIInChI=1S/C14H14FNO2/c1-10-11(5-6-18-10)8-16(2)14-4-3-13(15)7-12(14)9-17/h3-7,9H,8H2,1-2H3
InChIKeyMEUFOXWTIWYBFV-UHFFFAOYSA-N
XLogP3.18
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.18
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

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-5-nitrobenzaldehyde
CID 61426633
[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
CID 61426736
1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
CID 61426540
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 78934743
4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 61426639
2-chloro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
CID 114064075
5-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzoic acid
CID 62515703
4-fluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzoic acid
CID 107907810
2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
CID 61426535
N-(2-amino-5-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426421
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]quinoline-3-carbaldehyde
CID 61426585
3-amino-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzoic acid
CID 61424468

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde?
The IUPAC name of 5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde (CID 61426683) is 5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde.
What is the SMILES notation for 5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde?
The canonical SMILES for 5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde is Cc1occc1CN(C)c1ccc(F)cc1C=O.
What is the InChIKey of 5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde?
The InChIKey is MEUFOXWTIWYBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-10-11(5-6-18-10)8-16(2)14-4-3-13(15)7-12(14)9-17/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde?
5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde has a molecular weight of 247.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde is sourced from PubChem (CID 61426683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).