4-fluoro-3-(4-phenoxyphenyl)aniline

C18H14FNO — CID 104781257

IUPAC4-fluoro-3-(4-phenoxyphenyl)aniline
SMILESNc1ccc(F)c(-c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C18H14FNO/c19-18-11-8-14(20)12-17(18)13-6-9-16(10-7-13)21-15-4-2-1-3-5-15/h1-12H,20H2
InChIKeyCJGDNFKRKCBUOE-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.87
Rot. Bonds3

About 4-fluoro-3-(4-phenoxyphenyl)aniline

4-fluoro-3-(4-phenoxyphenyl)aniline (PubChem CID 104781257) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-fluoro-3-(4-phenoxyphenyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-(4-phenoxyphenyl)aniline
PubChem CID104781257
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name4-fluoro-3-(4-phenoxyphenyl)aniline
SMILESNc1ccc(F)c(-c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C18H14FNO/c19-18-11-8-14(20)12-17(18)13-6-9-16(10-7-13)21-15-4-2-1-3-5-15/h1-12H,20H2
InChIKeyCJGDNFKRKCBUOE-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(4-phenoxyphenyl)aniline
CID 65437775
3-(4-benzylphenyl)-4-fluoroaniline
CID 104781281
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
3-methoxy-4-(4-phenoxyphenyl)aniline
CID 57279676
4-phenoxyaniline
CID 158390066
3-(3,4-difluorophenyl)-4-fluoroaniline
CID 104781175
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
CID 104781273
6-(5-amino-2-fluorophenoxy)-5-(4-phenoxyphenyl)pyrimidin-4-amine
CID 89266794
3-[4-(dimethylamino)phenyl]-4-fluoroaniline
CID 104781143
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
4-fluoro-3-(3-fluorophenyl)aniline
CID 46312186
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-phenoxyphenyl)aniline?
The IUPAC name of 4-fluoro-3-(4-phenoxyphenyl)aniline (CID 104781257) is 4-fluoro-3-(4-phenoxyphenyl)aniline.
What is the SMILES notation for 4-fluoro-3-(4-phenoxyphenyl)aniline?
The canonical SMILES for 4-fluoro-3-(4-phenoxyphenyl)aniline is Nc1ccc(F)c(-c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 4-fluoro-3-(4-phenoxyphenyl)aniline?
The InChIKey is CJGDNFKRKCBUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c19-18-11-8-14(20)12-17(18)13-6-9-16(10-7-13)21-15-4-2-1-3-5-15/h1-12H,20H2.
What are the key properties of 4-fluoro-3-(4-phenoxyphenyl)aniline?
4-fluoro-3-(4-phenoxyphenyl)aniline has a molecular weight of 279.31 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-phenoxyphenyl)aniline is sourced from PubChem (CID 104781257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).