2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline

C24H18FNO — CID 170397493

IUPAC2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline
SMILESC=C(Oc1ccccc1N)c1ccc(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C24H18FNO/c1-16(27-24-9-5-4-8-23(24)26)19-14-15-20(17-10-12-18(25)13-11-17)22-7-3-2-6-21(19)22/h2-15H,1,26H2
InChIKeyCCCRSJWZCLQECU-UHFFFAOYSA-N
MW355.41 g/mol
LogP6.28
Rot. Bonds4

About 2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline

2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline (PubChem CID 170397493) has the molecular formula C24H18FNO and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline.

Molecular Properties

Compound Name2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline
PubChem CID170397493
Molecular FormulaC24H18FNO
Molecular Weight355.41 g/mol
Exact Mass355.14
IUPAC Name2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline
SMILESC=C(Oc1ccccc1N)c1ccc(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C24H18FNO/c1-16(27-24-9-5-4-8-23(24)26)19-14-15-20(17-10-12-18(25)13-11-17)22-7-3-2-6-21(19)22/h2-15H,1,26H2
InChIKeyCCCRSJWZCLQECU-UHFFFAOYSA-N
XLogP6.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.41
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline?
The IUPAC name of 2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline (CID 170397493) is 2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline.
What is the SMILES notation for 2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline?
The canonical SMILES for 2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline is C=C(Oc1ccccc1N)c1ccc(-c2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline?
The InChIKey is CCCRSJWZCLQECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO/c1-16(27-24-9-5-4-8-23(24)26)19-14-15-20(17-10-12-18(25)13-11-17)22-7-3-2-6-21(19)22/h2-15H,1,26H2.
What are the key properties of 2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline?
2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline has a molecular weight of 355.41 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-fluorophenyl)naphthalen-1-yl]ethenoxy]aniline is sourced from PubChem (CID 170397493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).