4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde

C14H18ClNO2 — CID 114844209

IUPAC4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde
SMILESCC1CN(c2cc(Cl)ccc2C=O)CC(C)(C)O1
InChIInChI=1S/C14H18ClNO2/c1-10-7-16(9-14(2,3)18-10)13-6-12(15)5-4-11(13)8-17/h4-6,8,10H,7,9H2,1-3H3
InChIKeyPULIRSHOZRBXCG-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.16
Rot. Bonds2

About 4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde

4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde (PubChem CID 114844209) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde
PubChem CID114844209
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde
SMILESCC1CN(c2cc(Cl)ccc2C=O)CC(C)(C)O1
InChIInChI=1S/C14H18ClNO2/c1-10-7-16(9-14(2,3)18-10)13-6-12(15)5-4-11(13)8-17/h4-6,8,10H,7,9H2,1-3H3
InChIKeyPULIRSHOZRBXCG-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

(E)-3-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]prop-2-enoic acid
CID 114858419
4-chloro-2-(3,4-dimethylpyrrolidin-1-yl)benzaldehyde
CID 114844419
1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114861313
4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde
CID 130906304
5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline
CID 66077635
2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
CID 81166311
4-chloro-2-(2-methylthiomorpholin-4-yl)benzaldehyde
CID 114844567
4-chloro-2-(3-hydroxy-3-methylpiperidin-1-yl)benzaldehyde
CID 114844581
5-methyl-2-(2,2,6-trimethylmorpholin-4-yl)benzoic acid
CID 55082932
4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine
CID 63375399
4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine
CID 63588228
4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde
CID 114843885

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde?
The IUPAC name of 4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde (CID 114844209) is 4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde?
The canonical SMILES for 4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde is CC1CN(c2cc(Cl)ccc2C=O)CC(C)(C)O1.
What is the InChIKey of 4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde?
The InChIKey is PULIRSHOZRBXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-7-16(9-14(2,3)18-10)13-6-12(15)5-4-11(13)8-17/h4-6,8,10H,7,9H2,1-3H3.
What are the key properties of 4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde?
4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde has a molecular weight of 267.76 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde is sourced from PubChem (CID 114844209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).