2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal

C13H19NO3 — CID 90754455

IUPAC2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal
SMILESCCOCC(N)(C=O)COCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-16-10-13(14,9-15)11-17-8-12-6-4-3-5-7-12/h3-7,9H,2,8,10-11,14H2,1H3
InChIKeyQEDLLRNVFWSVGR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.14
Rot. Bonds8

About 2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal

2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal (PubChem CID 90754455) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal.

Molecular Properties

Compound Name2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal
PubChem CID90754455
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal
SMILESCCOCC(N)(C=O)COCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-16-10-13(14,9-15)11-17-8-12-6-4-3-5-7-12/h3-7,9H,2,8,10-11,14H2,1H3
InChIKeyQEDLLRNVFWSVGR-UHFFFAOYSA-N
XLogP1.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(213C)ethoxymethylbenzene
CID 87947851
2-fluoro-2-methyl-3-phenylmethoxypropanal
CID 14267601
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296
(2R)-2-methyl-5-oxo-2-(phenylmethoxymethyl)heptanal
CID 10706614
[2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene
CID 11632573
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
2-methyl-2-(phenylmethoxymethyl)butan-1-amine
CID 102940469
1-ethoxy-4-(2-methyl-1-phenylmethoxypropan-2-yl)benzene
CID 142632162
ethoxymethylbenzene;propylbenzene
CID 174975433
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal?
The IUPAC name of 2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal (CID 90754455) is 2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal.
What is the SMILES notation for 2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal?
The canonical SMILES for 2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal is CCOCC(N)(C=O)COCc1ccccc1.
What is the InChIKey of 2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal?
The InChIKey is QEDLLRNVFWSVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-16-10-13(14,9-15)11-17-8-12-6-4-3-5-7-12/h3-7,9H,2,8,10-11,14H2,1H3.
What are the key properties of 2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal?
2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal has a molecular weight of 237.30 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(ethoxymethyl)-3-phenylmethoxypropanal is sourced from PubChem (CID 90754455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).