3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal

C16H25NO2 — CID 82952847

IUPAC3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal
SMILESCOCCN(CC(C)(C=O)c1ccccc1)C(C)C
InChIInChI=1S/C16H25NO2/c1-14(2)17(10-11-19-4)12-16(3,13-18)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3
InChIKeyOKSKZSAGBMXZPU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.50
Rot. Bonds8

About 3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal

3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal (PubChem CID 82952847) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal.

Molecular Properties

Compound Name3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal
PubChem CID82952847
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal
SMILESCOCCN(CC(C)(C=O)c1ccccc1)C(C)C
InChIInChI=1S/C16H25NO2/c1-14(2)17(10-11-19-4)12-16(3,13-18)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3
InChIKeyOKSKZSAGBMXZPU-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.50
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

3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal
CID 62276454
2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
CID 62276408
2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid
CID 82960250
methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate
CID 82941864
2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
CID 62278481
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-phenylpropane-1,2-diamine
CID 62488443
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
CID 62277730
4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol
CID 82953026
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
CID 62278279

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal?
The IUPAC name of 3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal (CID 82952847) is 3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal.
What is the SMILES notation for 3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal?
The canonical SMILES for 3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal is COCCN(CC(C)(C=O)c1ccccc1)C(C)C.
What is the InChIKey of 3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal?
The InChIKey is OKSKZSAGBMXZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14(2)17(10-11-19-4)12-16(3,13-18)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3.
What are the key properties of 3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal?
3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal has a molecular weight of 263.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal is sourced from PubChem (CID 82952847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).