4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde

C23H21NO — CID 19030131

IUPAC4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde
SMILESO=Cc1ccc(N(c2ccccc2)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H21NO/c25-17-18-10-13-22(14-11-18)24(21-8-2-1-3-9-21)23-15-12-19-6-4-5-7-20(19)16-23/h1-3,8-17H,4-7H2
InChIKeyQKZRMOKVVBXXFW-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.85
Rot. Bonds4

About 4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde

4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde (PubChem CID 19030131) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde.

Molecular Properties

Compound Name4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde
PubChem CID19030131
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde
SMILESO=Cc1ccc(N(c2ccccc2)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H21NO/c25-17-18-10-13-22(14-11-18)24(21-8-2-1-3-9-21)23-15-12-19-6-4-5-7-20(19)16-23/h1-3,8-17H,4-7H2
InChIKeyQKZRMOKVVBXXFW-UHFFFAOYSA-N
XLogP5.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde 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 4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde?
The IUPAC name of 4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde (CID 19030131) is 4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde.
What is the SMILES notation for 4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde?
The canonical SMILES for 4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde is O=Cc1ccc(N(c2ccccc2)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde?
The InChIKey is QKZRMOKVVBXXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c25-17-18-10-13-22(14-11-18)24(21-8-2-1-3-9-21)23-15-12-19-6-4-5-7-20(19)16-23/h1-3,8-17H,4-7H2.
What are the key properties of 4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde?
4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde has a molecular weight of 327.43 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde is sourced from PubChem (CID 19030131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).