2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline

C33H24ClNO — CID 155067672

IUPAC2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline
SMILESNc1c(OCc2cccc(Cl)c2)cc(-c2cccc3ccccc23)cc1-c1cccc2ccccc12
InChIInChI=1S/C33H24ClNO/c34-26-13-5-8-22(18-26)21-36-32-20-25(29-16-6-11-23-9-1-3-14-27(23)29)19-31(33(32)35)30-17-7-12-24-10-2-4-15-28(24)30/h1-20H,21,35H2
InChIKeyLVSNFXGVEDKODY-UHFFFAOYSA-N
MW486.01 g/mol
LogP9.14
Rot. Bonds5

About 2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline

2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline (PubChem CID 155067672) has the molecular formula C33H24ClNO and a molecular weight of 486.01 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline
PubChem CID155067672
Molecular FormulaC33H24ClNO
Molecular Weight486.01 g/mol
Exact Mass485.15
IUPAC Name2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline
SMILESNc1c(OCc2cccc(Cl)c2)cc(-c2cccc3ccccc23)cc1-c1cccc2ccccc12
InChIInChI=1S/C33H24ClNO/c34-26-13-5-8-22(18-26)21-36-32-20-25(29-16-6-11-23-9-1-3-14-27(23)29)19-31(33(32)35)30-17-7-12-24-10-2-4-15-28(24)30/h1-20H,21,35H2
InChIKeyLVSNFXGVEDKODY-UHFFFAOYSA-N
XLogP9.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.01
LogP ≤ 59.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline (CID 155067672) is 2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline is Nc1c(OCc2cccc(Cl)c2)cc(-c2cccc3ccccc23)cc1-c1cccc2ccccc12.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline?
The InChIKey is LVSNFXGVEDKODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24ClNO/c34-26-13-5-8-22(18-26)21-36-32-20-25(29-16-6-11-23-9-1-3-14-27(23)29)19-31(33(32)35)30-17-7-12-24-10-2-4-15-28(24)30/h1-20H,21,35H2.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline?
2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline has a molecular weight of 486.01 g/mol, XLogP of 9.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-4,6-dinaphthalen-1-ylaniline is sourced from PubChem (CID 155067672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).