2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal

C18H23NOS — CID 79489421

IUPAC2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
SMILESCC(Cc1cccs1)N(C)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-15(12-17-10-7-11-21-17)19(3)13-18(2,14-20)16-8-5-4-6-9-16/h4-11,14-15H,12-13H2,1-3H3
InChIKeyWTEAKDDGZCHCDH-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.77
Rot. Bonds7

About 2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal

2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal (PubChem CID 79489421) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal.

Molecular Properties

Compound Name2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
PubChem CID79489421
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
SMILESCC(Cc1cccs1)N(C)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-15(12-17-10-7-11-21-17)19(3)13-18(2,14-20)16-8-5-4-6-9-16/h4-11,14-15H,12-13H2,1-3H3
InChIKeyWTEAKDDGZCHCDH-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.77
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

N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 79489657
3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal
CID 62276440
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
2,2-dimethyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propanehydrazide
CID 79630513
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
CID 62277730
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile
CID 103367963
3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine
CID 63085723
3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
CID 62278279
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal?
The IUPAC name of 2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal (CID 79489421) is 2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal.
What is the SMILES notation for 2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal?
The canonical SMILES for 2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal is CC(Cc1cccs1)N(C)CC(C)(C=O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal?
The InChIKey is WTEAKDDGZCHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-15(12-17-10-7-11-21-17)19(3)13-18(2,14-20)16-8-5-4-6-9-16/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal?
2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal has a molecular weight of 301.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal is sourced from PubChem (CID 79489421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).