2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde

C19H20ClNO3 — CID 87575413

IUPAC2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde
SMILESNC(C=O)(c1ccc(Cl)cc1)c1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C19H20ClNO3/c20-16-5-1-14(2-6-16)19(21,13-22)15-3-7-17(8-4-15)24-18-9-11-23-12-10-18/h1-8,13,18H,9-12,21H2
InChIKeyQJEVRSOGJDFVFV-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.30
Rot. Bonds5

About 2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde

2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde (PubChem CID 87575413) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde
PubChem CID87575413
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde
SMILESNC(C=O)(c1ccc(Cl)cc1)c1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C19H20ClNO3/c20-16-5-1-14(2-6-16)19(21,13-22)15-3-7-17(8-4-15)24-18-9-11-23-12-10-18/h1-8,13,18H,9-12,21H2
InChIKeyQJEVRSOGJDFVFV-UHFFFAOYSA-N
XLogP3.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde?
The IUPAC name of 2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde (CID 87575413) is 2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde is NC(C=O)(c1ccc(Cl)cc1)c1ccc(OC2CCOCC2)cc1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde?
The InChIKey is QJEVRSOGJDFVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c20-16-5-1-14(2-6-16)19(21,13-22)15-3-7-17(8-4-15)24-18-9-11-23-12-10-18/h1-8,13,18H,9-12,21H2.
What are the key properties of 2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde?
2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde has a molecular weight of 345.83 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde is sourced from PubChem (CID 87575413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).