2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde

C15H17NO2 — CID 55038712

IUPAC2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
SMILESCc1ccc(CN(C)c2ccc(C=O)c(C)c2)o1
InChIInChI=1S/C15H17NO2/c1-11-8-14(6-5-13(11)10-17)16(3)9-15-7-4-12(2)18-15/h4-8,10H,9H2,1-3H3
InChIKeyZIYXXKSIVOYPAH-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.35
Rot. Bonds4

About 2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde

2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde (PubChem CID 55038712) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde.

Molecular Properties

Compound Name2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
PubChem CID55038712
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
SMILESCc1ccc(CN(C)c2ccc(C=O)c(C)c2)o1
InChIInChI=1S/C15H17NO2/c1-11-8-14(6-5-13(11)10-17)16(3)9-15-7-4-12(2)18-15/h4-8,10H,9H2,1-3H3
InChIKeyZIYXXKSIVOYPAH-UHFFFAOYSA-N
XLogP3.35
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.35
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

5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 114054145
4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 43526378
N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62135016
5-[methyl-[(5-methylfuran-2-yl)methyl]amino]furan-2-carbaldehyde
CID 62120178
4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 78936162
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzonitrile
CID 62982958
6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde
CID 80637621
3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one
CID 43586724
2-fluoro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenecarbothioamide
CID 115367938
4-(dipropylamino)-2-methylbenzaldehyde
CID 14848763
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 55038382
N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide
CID 62135938

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde?
The IUPAC name of 2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde (CID 55038712) is 2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde.
What is the SMILES notation for 2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde?
The canonical SMILES for 2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde is Cc1ccc(CN(C)c2ccc(C=O)c(C)c2)o1.
What is the InChIKey of 2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde?
The InChIKey is ZIYXXKSIVOYPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-8-14(6-5-13(11)10-17)16(3)9-15-7-4-12(2)18-15/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde?
2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde has a molecular weight of 243.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde is sourced from PubChem (CID 55038712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).