2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde

C12H17NO4 — CID 87643019

IUPAC2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde
SMILESCOCCOCOCc1cccc(N)c1C=O
InChIInChI=1S/C12H17NO4/c1-15-5-6-16-9-17-8-10-3-2-4-12(13)11(10)7-14/h2-4,7H,5-6,8-9,13H2,1H3
InChIKeyUNBOOGWHRYGTQE-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.22
Rot. Bonds8

About 2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde

2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde (PubChem CID 87643019) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde.

Molecular Properties

Compound Name2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde
PubChem CID87643019
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde
SMILESCOCCOCOCc1cccc(N)c1C=O
InChIInChI=1S/C12H17NO4/c1-15-5-6-16-9-17-8-10-3-2-4-12(13)11(10)7-14/h2-4,7H,5-6,8-9,13H2,1H3
InChIKeyUNBOOGWHRYGTQE-UHFFFAOYSA-N
XLogP1.22
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxymethoxymethyl)phenol
CID 23251146
2-amino-6-methylbenzaldehyde
CID 23046538
2-(2-methoxyethoxymethyl)phenol
CID 21397612
3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline
CID 104560092
3-(methoxymethyl)benzene-1,2-diamine
CID 45116640
1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene
CID 54400320
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
CID 104566562
1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene
CID 102273411
3-(methoxymethyl)-2-methylaniline
CID 14801184
2-(2-methoxyethylsulfonylmethyl)aniline
CID 43446202
2-(2-methoxyethylsulfinylmethyl)aniline
CID 61287219

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde?
The IUPAC name of 2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde (CID 87643019) is 2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde.
What is the SMILES notation for 2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde?
The canonical SMILES for 2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde is COCCOCOCc1cccc(N)c1C=O.
What is the InChIKey of 2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde?
The InChIKey is UNBOOGWHRYGTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-15-5-6-16-9-17-8-10-3-2-4-12(13)11(10)7-14/h2-4,7H,5-6,8-9,13H2,1H3.
What are the key properties of 2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde?
2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde has a molecular weight of 239.27 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde is sourced from PubChem (CID 87643019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).