4-(3-fluorophenyl)-3-methoxyaniline

C13H12FNO — CID 82106976

IUPAC4-(3-fluorophenyl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1-c1cccc(F)c1
InChIInChI=1S/C13H12FNO/c1-16-13-8-11(15)5-6-12(13)9-3-2-4-10(14)7-9/h2-8H,15H2,1H3
InChIKeyWULSYVWBNSBEDJ-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.08
Rot. Bonds2

About 4-(3-fluorophenyl)-3-methoxyaniline

4-(3-fluorophenyl)-3-methoxyaniline (PubChem CID 82106976) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-methoxyaniline.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-methoxyaniline
PubChem CID82106976
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name4-(3-fluorophenyl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1-c1cccc(F)c1
InChIInChI=1S/C13H12FNO/c1-16-13-8-11(15)5-6-12(13)9-3-2-4-10(14)7-9/h2-8H,15H2,1H3
InChIKeyWULSYVWBNSBEDJ-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.08
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

1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
4-(3-fluorophenyl)-2-methoxy-5-methylaniline
CID 171037302
3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
CID 118149747
4-fluoro-3-(3-fluorophenyl)aniline
CID 46312186
3-methoxy-4-(4-phenoxyphenyl)aniline
CID 57279676
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
4-[(3-fluorophenyl)methylsulfanyl]-3-methoxyaniline
CID 79822256
3-(3-fluorophenyl)-4,5-dimethoxypyridine
CID 174673027
4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
CID 54912636
1-(3-fluorophenyl)-2-iodo-4-methoxybenzene
CID 172675013
1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine
CID 72943652
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-methoxyaniline?
The IUPAC name of 4-(3-fluorophenyl)-3-methoxyaniline (CID 82106976) is 4-(3-fluorophenyl)-3-methoxyaniline.
What is the SMILES notation for 4-(3-fluorophenyl)-3-methoxyaniline?
The canonical SMILES for 4-(3-fluorophenyl)-3-methoxyaniline is COc1cc(N)ccc1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-3-methoxyaniline?
The InChIKey is WULSYVWBNSBEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-16-13-8-11(15)5-6-12(13)9-3-2-4-10(14)7-9/h2-8H,15H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-3-methoxyaniline?
4-(3-fluorophenyl)-3-methoxyaniline has a molecular weight of 217.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-methoxyaniline is sourced from PubChem (CID 82106976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).