2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde

C20H26N2O4 — CID 18371411

IUPAC2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde
SMILESCOCCN(CCOC)c1ccc(N)c(-c2cc(OC)ccc2C=O)c1
InChIInChI=1S/C20H26N2O4/c1-24-10-8-22(9-11-25-2)16-5-7-20(21)19(12-16)18-13-17(26-3)6-4-15(18)14-23/h4-7,12-14H,8-11,21H2,1-3H3
InChIKeyOQFUXLXSCXGRDH-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.86
Rot. Bonds10

About 2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde

2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde (PubChem CID 18371411) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde
PubChem CID18371411
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde
SMILESCOCCN(CCOC)c1ccc(N)c(-c2cc(OC)ccc2C=O)c1
InChIInChI=1S/C20H26N2O4/c1-24-10-8-22(9-11-25-2)16-5-7-20(21)19(12-16)18-13-17(26-3)6-4-15(18)14-23/h4-7,12-14H,8-11,21H2,1-3H3
InChIKeyOQFUXLXSCXGRDH-UHFFFAOYSA-N
XLogP2.86
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
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-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde 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-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde?
The IUPAC name of 2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde (CID 18371411) is 2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde?
The canonical SMILES for 2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde is COCCN(CCOC)c1ccc(N)c(-c2cc(OC)ccc2C=O)c1.
What is the InChIKey of 2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde?
The InChIKey is OQFUXLXSCXGRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-24-10-8-22(9-11-25-2)16-5-7-20(21)19(12-16)18-13-17(26-3)6-4-15(18)14-23/h4-7,12-14H,8-11,21H2,1-3H3.
What are the key properties of 2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde?
2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde has a molecular weight of 358.44 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 18371411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).