2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde

C15H18N2O4 — CID 18798895

IUPAC2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde
SMILESNc1ccc(N(CCO)CCO)cc1-c1occc1C=O
InChIInChI=1S/C15H18N2O4/c16-14-2-1-12(17(4-6-18)5-7-19)9-13(14)15-11(10-20)3-8-21-15/h1-3,8-10,18-19H,4-7,16H2
InChIKeyOEYRPNMZRMDFIA-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.13
Rot. Bonds7

About 2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde

2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde (PubChem CID 18798895) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde.

Molecular Properties

Compound Name2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde
PubChem CID18798895
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde
SMILESNc1ccc(N(CCO)CCO)cc1-c1occc1C=O
InChIInChI=1S/C15H18N2O4/c16-14-2-1-12(17(4-6-18)5-7-19)9-13(14)15-11(10-20)3-8-21-15/h1-3,8-10,18-19H,4-7,16H2
InChIKeyOEYRPNMZRMDFIA-UHFFFAOYSA-N
XLogP1.13
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde?
The IUPAC name of 2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde (CID 18798895) is 2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde.
What is the SMILES notation for 2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde?
The canonical SMILES for 2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde is Nc1ccc(N(CCO)CCO)cc1-c1occc1C=O.
What is the InChIKey of 2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde?
The InChIKey is OEYRPNMZRMDFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c16-14-2-1-12(17(4-6-18)5-7-19)9-13(14)15-11(10-20)3-8-21-15/h1-3,8-10,18-19H,4-7,16H2.
What are the key properties of 2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde?
2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde has a molecular weight of 290.32 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde is sourced from PubChem (CID 18798895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).