2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde

C16H17NO2 — CID 154402292

IUPAC2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde
SMILESCOCCc1cccc(-c2ccccc2C=O)c1N
InChIInChI=1S/C16H17NO2/c1-19-10-9-12-6-4-8-15(16(12)17)14-7-3-2-5-13(14)11-18/h2-8,11H,9-10,17H2,1H3
InChIKeyQATWJUYZOSVWIH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.94
Rot. Bonds5

About 2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde

2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde (PubChem CID 154402292) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde
PubChem CID154402292
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde
SMILESCOCCc1cccc(-c2ccccc2C=O)c1N
InChIInChI=1S/C16H17NO2/c1-19-10-9-12-6-4-8-15(16(12)17)14-7-3-2-5-13(14)11-18/h2-8,11H,9-10,17H2,1H3
InChIKeyQATWJUYZOSVWIH-UHFFFAOYSA-N
XLogP2.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-methoxyethyl)benzenethiol
CID 102908639
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
5-[2-(2-methoxyethyl)phenyl]furan-2-carbaldehyde
CID 102907443
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 134898371
2,5-bis(2-methoxyethyl)benzaldehyde
CID 123268427
2-[4-(methoxymethoxy)phenyl]benzaldehyde
CID 22125803
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
CID 102907729
(E)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]phenyl]prop-2-enamide
CID 67388356
2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbenzamide
CID 102903119
tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate
CID 70579626
4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde
CID 154175509

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde?
The IUPAC name of 2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde (CID 154402292) is 2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde.
What is the SMILES notation for 2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde?
The canonical SMILES for 2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde is COCCc1cccc(-c2ccccc2C=O)c1N.
What is the InChIKey of 2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde?
The InChIKey is QATWJUYZOSVWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-10-9-12-6-4-8-15(16(12)17)14-7-3-2-5-13(14)11-18/h2-8,11H,9-10,17H2,1H3.
What are the key properties of 2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde?
2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde has a molecular weight of 255.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde is sourced from PubChem (CID 154402292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).