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

C14H21NO — CID 62278481

IUPAC2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
SMILESCCCN(C)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C14H21NO/c1-4-10-15(3)11-14(2,12-16)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyNXYXFMCPEFYMPD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.48
Rot. Bonds6

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

2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal (PubChem CID 62278481) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal.

Molecular Properties

Compound Name2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
PubChem CID62278481
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
SMILESCCCN(C)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C14H21NO/c1-4-10-15(3)11-14(2,12-16)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyNXYXFMCPEFYMPD-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.48
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(2-methylbutyl)amino]-2-phenylpropanal
CID 62277730
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
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
2-methyl-2-phenylicosanal
CID 174730762
3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal
CID 62276454
3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal
CID 62278320
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropanal
CID 79313119
3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal
CID 82952847
2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
CID 62276408
2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
CID 79489421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal?
The IUPAC name of 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal (CID 62278481) is 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal.
What is the SMILES notation for 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal?
The canonical SMILES for 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal is CCCN(C)CC(C)(C=O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal?
The InChIKey is NXYXFMCPEFYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-10-15(3)11-14(2,12-16)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal?
2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal has a molecular weight of 219.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal is sourced from PubChem (CID 62278481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).