4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde

C16H16N2O3 — CID 152745146

IUPAC4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde
SMILESCc1ccc(N)c(OC=COc2cc(C=O)ccc2N)c1
InChIInChI=1S/C16H16N2O3/c1-11-2-4-13(17)15(8-11)20-6-7-21-16-9-12(10-19)3-5-14(16)18/h2-10H,17-18H2,1H3
InChIKeyOHGHWAXXECXTSP-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.90
Rot. Bonds5

About 4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde

4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde (PubChem CID 152745146) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde.

Molecular Properties

Compound Name4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde
PubChem CID152745146
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde
SMILESCc1ccc(N)c(OC=COc2cc(C=O)ccc2N)c1
InChIInChI=1S/C16H16N2O3/c1-11-2-4-13(17)15(8-11)20-6-7-21-16-9-12(10-19)3-5-14(16)18/h2-10H,17-18H2,1H3
InChIKeyOHGHWAXXECXTSP-UHFFFAOYSA-N
XLogP2.90
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
6-methylnaphthalene-2-carbaldehyde
CID 6452268
4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde
CID 161093718
3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde
CID 81152103
3-methoxy-4-prop-1-enoxybenzaldehyde
CID 54295284
6-methylanthracene-2-carbaldehyde
CID 156805593
4-amino-3-methylbenzaldehyde;butane;ethane
CID 143664770
4-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2264220
2-(fluoromethoxy)-4-methylaniline
CID 123529275
4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2292017
(2-amino-5-methylphenyl) 2-methylprop-2-enoate
CID 174418945

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde?
The IUPAC name of 4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde (CID 152745146) is 4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde.
What is the SMILES notation for 4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde?
The canonical SMILES for 4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde is Cc1ccc(N)c(OC=COc2cc(C=O)ccc2N)c1.
What is the InChIKey of 4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde?
The InChIKey is OHGHWAXXECXTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-2-4-13(17)15(8-11)20-6-7-21-16-9-12(10-19)3-5-14(16)18/h2-10H,17-18H2,1H3.
What are the key properties of 4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde?
4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde has a molecular weight of 284.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde is sourced from PubChem (CID 152745146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).