4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde

C14H21NO2 — CID 82951138

IUPAC4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde
SMILESCOCCN(c1ccc(C=O)cc1C)C(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)15(7-8-17-4)14-6-5-13(10-16)9-12(14)3/h5-6,9-11H,7-8H2,1-4H3
InChIKeyNKRCUGSDMHIZPM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.67
Rot. Bonds6

About 4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde

4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde (PubChem CID 82951138) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde
PubChem CID82951138
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde
SMILESCOCCN(c1ccc(C=O)cc1C)C(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)15(7-8-17-4)14-6-5-13(10-16)9-12(14)3/h5-6,9-11H,7-8H2,1-4H3
InChIKeyNKRCUGSDMHIZPM-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.67
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

4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde
CID 114844506
3-methyl-4-[methyl(4-methylpentan-2-yl)amino]benzaldehyde
CID 55040300
3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]benzaldehyde
CID 114062183
3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde
CID 61427708
1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
CID 55001536
2-chloro-4-N-(2-methoxyethyl)-5-methyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 82949127
2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
CID 63070701
4-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzaldehyde
CID 104552443
4-[ethyl(2-methylpropyl)amino]-3-methylbenzaldehyde
CID 62122123
4-[2-chloroethyl(methyl)amino]-3-methylbenzaldehyde
CID 71336306
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline
CID 62122948

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde?
The IUPAC name of 4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde (CID 82951138) is 4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde.
What is the SMILES notation for 4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde?
The canonical SMILES for 4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde is COCCN(c1ccc(C=O)cc1C)C(C)C.
What is the InChIKey of 4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde?
The InChIKey is NKRCUGSDMHIZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)15(7-8-17-4)14-6-5-13(10-16)9-12(14)3/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde?
4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde has a molecular weight of 235.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde is sourced from PubChem (CID 82951138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).