(4R)-5-(4-aminophenyl)-4-methylpentanal

C12H17NO — CID 90273765

IUPAC(4R)-5-(4-aminophenyl)-4-methylpentanal
SMILESC[C@H](CCC=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H17NO/c1-10(3-2-8-14)9-11-4-6-12(13)7-5-11/h4-8,10H,2-3,9,13H2,1H3/t10-/m1/s1
InChIKeyLERIKQJREYXQMI-SNVBAGLBSA-N
MW191.27 g/mol
LogP2.43
Rot. Bonds5

About (4R)-5-(4-aminophenyl)-4-methylpentanal

(4R)-5-(4-aminophenyl)-4-methylpentanal (PubChem CID 90273765) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (4R)-5-(4-aminophenyl)-4-methylpentanal.

Molecular Properties

Compound Name(4R)-5-(4-aminophenyl)-4-methylpentanal
PubChem CID90273765
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(4R)-5-(4-aminophenyl)-4-methylpentanal
SMILESC[C@H](CCC=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H17NO/c1-10(3-2-8-14)9-11-4-6-12(13)7-5-11/h4-8,10H,2-3,9,13H2,1H3/t10-/m1/s1
InChIKeyLERIKQJREYXQMI-SNVBAGLBSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4R)-5-(4-aminophenyl)-4-methylpentanal 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 (4R)-5-(4-aminophenyl)-4-methylpentanal?
The IUPAC name of (4R)-5-(4-aminophenyl)-4-methylpentanal (CID 90273765) is (4R)-5-(4-aminophenyl)-4-methylpentanal.
What is the SMILES notation for (4R)-5-(4-aminophenyl)-4-methylpentanal?
The canonical SMILES for (4R)-5-(4-aminophenyl)-4-methylpentanal is C[C@H](CCC=O)Cc1ccc(N)cc1.
What is the InChIKey of (4R)-5-(4-aminophenyl)-4-methylpentanal?
The InChIKey is LERIKQJREYXQMI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(3-2-8-14)9-11-4-6-12(13)7-5-11/h4-8,10H,2-3,9,13H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-5-(4-aminophenyl)-4-methylpentanal?
(4R)-5-(4-aminophenyl)-4-methylpentanal has a molecular weight of 191.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(4-aminophenyl)-4-methylpentanal is sourced from PubChem (CID 90273765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).