2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal

C16H25NO — CID 62277730

IUPAC2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
SMILESCCC(C)CN(C)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C16H25NO/c1-5-14(2)11-17(4)12-16(3,13-18)15-9-7-6-8-10-15/h6-10,13-14H,5,11-12H2,1-4H3
InChIKeyGJYQQNBGPITHLI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.12
Rot. Bonds7

About 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal

2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal (PubChem CID 62277730) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
PubChem CID62277730
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
SMILESCCC(C)CN(C)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C16H25NO/c1-5-14(2)11-17(4)12-16(3,13-18)15-9-7-6-8-10-15/h6-10,13-14H,5,11-12H2,1-4H3
InChIKeyGJYQQNBGPITHLI-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
CID 62278481
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid
CID 62270476
2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal
CID 62277918
2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
CID 62276408
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
CID 79489421
3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal
CID 62276454
3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal
CID 82952847
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal
CID 62277752
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
CID 62276195
3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
CID 62278279
3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal
CID 62278320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal?
The IUPAC name of 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal (CID 62277730) is 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal.
What is the SMILES notation for 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal?
The canonical SMILES for 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal is CCC(C)CN(C)CC(C)(C=O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal?
The InChIKey is GJYQQNBGPITHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-14(2)11-17(4)12-16(3,13-18)15-9-7-6-8-10-15/h6-10,13-14H,5,11-12H2,1-4H3.
What are the key properties of 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal?
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal has a molecular weight of 247.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal is sourced from PubChem (CID 62277730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).