3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal

C17H21NOS — CID 62276440

IUPAC3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal
SMILESCCN(Cc1cccs1)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-3-18(12-16-10-7-11-20-16)13-17(2,14-19)15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3
InChIKeyMXZSOJQQAIGASU-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.73
Rot. Bonds7

About 3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal

3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal (PubChem CID 62276440) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal.

Molecular Properties

Compound Name3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal
PubChem CID62276440
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal
SMILESCCN(Cc1cccs1)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-3-18(12-16-10-7-11-20-16)13-17(2,14-19)15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3
InChIKeyMXZSOJQQAIGASU-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.73
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

2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
CID 79489421
4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline
CID 80556236
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 79619619
N,2-diethyl-2-methyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62259654
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
CID 62276195
2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol
CID 55055329
5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65254843
2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
CID 62278481
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal
CID 62278320

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal?
The IUPAC name of 3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal (CID 62276440) is 3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal.
What is the SMILES notation for 3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal?
The canonical SMILES for 3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal is CCN(Cc1cccs1)CC(C)(C=O)c1ccccc1.
What is the InChIKey of 3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal?
The InChIKey is MXZSOJQQAIGASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-18(12-16-10-7-11-20-16)13-17(2,14-19)15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal?
3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal has a molecular weight of 287.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal is sourced from PubChem (CID 62276440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).