2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde

C15H21NO2 — CID 114054244

IUPAC2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde
SMILESCc1ccc(N(C)CCOCC2CC2)c(C=O)c1
InChIInChI=1S/C15H21NO2/c1-12-3-6-15(14(9-12)10-17)16(2)7-8-18-11-13-4-5-13/h3,6,9-10,13H,4-5,7-8,11H2,1-2H3
InChIKeyVAUYZUMSRLXILY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds7

About 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde

2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde (PubChem CID 114054244) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde
PubChem CID114054244
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde
SMILESCc1ccc(N(C)CCOCC2CC2)c(C=O)c1
InChIInChI=1S/C15H21NO2/c1-12-3-6-15(14(9-12)10-17)16(2)7-8-18-11-13-4-5-13/h3,6,9-10,13H,4-5,7-8,11H2,1-2H3
InChIKeyVAUYZUMSRLXILY-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde?
The IUPAC name of 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde (CID 114054244) is 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde is Cc1ccc(N(C)CCOCC2CC2)c(C=O)c1.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde?
The InChIKey is VAUYZUMSRLXILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-3-6-15(14(9-12)10-17)16(2)7-8-18-11-13-4-5-13/h3,6,9-10,13H,4-5,7-8,11H2,1-2H3.
What are the key properties of 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde?
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde has a molecular weight of 247.34 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methylbenzaldehyde is sourced from PubChem (CID 114054244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).