3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde

C15H21NO2 — CID 62276787

IUPAC3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde
SMILESCCN(CC1(C=O)CCOC1)c1cccc(C)c1
InChIInChI=1S/C15H21NO2/c1-3-16(14-6-4-5-13(2)9-14)10-15(11-17)7-8-18-12-15/h4-6,9,11H,3,7-8,10,12H2,1-2H3
InChIKeyYMFXTNIOTIXYBF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds5

About 3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde

3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde (PubChem CID 62276787) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde
PubChem CID62276787
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde
SMILESCCN(CC1(C=O)CCOC1)c1cccc(C)c1
InChIInChI=1S/C15H21NO2/c1-3-16(14-6-4-5-13(2)9-14)10-15(11-17)7-8-18-12-15/h4-6,9,11H,3,7-8,10,12H2,1-2H3
InChIKeyYMFXTNIOTIXYBF-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde (CID 62276787) is 3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde is CCN(CC1(C=O)CCOC1)c1cccc(C)c1.
What is the InChIKey of 3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde?
The InChIKey is YMFXTNIOTIXYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-16(14-6-4-5-13(2)9-14)10-15(11-17)7-8-18-12-15/h4-6,9,11H,3,7-8,10,12H2,1-2H3.
What are the key properties of 3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde?
3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde has a molecular weight of 247.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62276787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).