3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde

C14H18ClNO2 — CID 81145311

IUPAC3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde
SMILESCCC1COC(C)CN1c1ccc(C=O)cc1Cl
InChIInChI=1S/C14H18ClNO2/c1-3-12-9-18-10(2)7-16(12)14-5-4-11(8-17)6-13(14)15/h4-6,8,10,12H,3,7,9H2,1-2H3
InChIKeyPOSABWIIXKQBIN-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.16
Rot. Bonds3

About 3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde

3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde (PubChem CID 81145311) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde
PubChem CID81145311
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde
SMILESCCC1COC(C)CN1c1ccc(C=O)cc1Cl
InChIInChI=1S/C14H18ClNO2/c1-3-12-9-18-10(2)7-16(12)14-5-4-11(8-17)6-13(14)15/h4-6,8,10,12H,3,7,9H2,1-2H3
InChIKeyPOSABWIIXKQBIN-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.16
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-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde?
The IUPAC name of 3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde (CID 81145311) is 3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde.
What is the SMILES notation for 3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde?
The canonical SMILES for 3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde is CCC1COC(C)CN1c1ccc(C=O)cc1Cl.
What is the InChIKey of 3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde?
The InChIKey is POSABWIIXKQBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-3-12-9-18-10(2)7-16(12)14-5-4-11(8-17)6-13(14)15/h4-6,8,10,12H,3,7,9H2,1-2H3.
What are the key properties of 3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde?
3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde has a molecular weight of 267.76 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde is sourced from PubChem (CID 81145311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).