4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde

C15H15NO2 — CID 154175509

IUPAC4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde
SMILESNc1c(CCO)cccc1-c1ccc(C=O)cc1
InChIInChI=1S/C15H15NO2/c16-15-13(8-9-17)2-1-3-14(15)12-6-4-11(10-18)5-7-12/h1-7,10,17H,8-9,16H2
InChIKeyUGLLVBXQNSGAEE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.28
Rot. Bonds4

About 4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde

4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde (PubChem CID 154175509) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde
PubChem CID154175509
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde
SMILESNc1c(CCO)cccc1-c1ccc(C=O)cc1
InChIInChI=1S/C15H15NO2/c16-15-13(8-9-17)2-1-3-14(15)12-6-4-11(10-18)5-7-12/h1-7,10,17H,8-9,16H2
InChIKeyUGLLVBXQNSGAEE-UHFFFAOYSA-N
XLogP2.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde?
The IUPAC name of 4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde (CID 154175509) is 4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde?
The canonical SMILES for 4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde is Nc1c(CCO)cccc1-c1ccc(C=O)cc1.
What is the InChIKey of 4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde?
The InChIKey is UGLLVBXQNSGAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-15-13(8-9-17)2-1-3-14(15)12-6-4-11(10-18)5-7-12/h1-7,10,17H,8-9,16H2.
What are the key properties of 4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde?
4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde has a molecular weight of 241.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde is sourced from PubChem (CID 154175509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).