1-fluoro-2-methoxybenzene;3-methoxyaniline

C14H16FNO2 — CID 174853611

IUPAC1-fluoro-2-methoxybenzene;3-methoxyaniline
SMILESCOc1cccc(N)c1.COc1ccccc1F
InChIInChI=1S/C7H7FO.C7H9NO/c1-9-7-5-3-2-4-6(7)8;1-9-7-4-2-3-6(8)5-7/h2-5H,1H3;2-5H,8H2,1H3
InChIKeyZVGKNXUXBSHPPB-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.11
Rot. Bonds2

About 1-fluoro-2-methoxybenzene;3-methoxyaniline

1-fluoro-2-methoxybenzene;3-methoxyaniline (PubChem CID 174853611) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-fluoro-2-methoxybenzene;3-methoxyaniline.

Molecular Properties

Compound Name1-fluoro-2-methoxybenzene;3-methoxyaniline
PubChem CID174853611
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-fluoro-2-methoxybenzene;3-methoxyaniline
SMILESCOc1cccc(N)c1.COc1ccccc1F
InChIInChI=1S/C7H7FO.C7H9NO/c1-9-7-5-3-2-4-6(7)8;1-9-7-4-2-3-6(8)5-7/h2-5H,1H3;2-5H,8H2,1H3
InChIKeyZVGKNXUXBSHPPB-UHFFFAOYSA-N
XLogP3.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxyaniline;sulfane
CID 174447811
3-(2,6-dimethoxyphenoxy)aniline
CID 57089933
magnesium;1-fluoro-2-methoxybenzene;hydride
CID 174440812
carbon dioxide;1-fluoro-2-methoxybenzene
CID 159972007
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
(2-fluorophenyl) 2-(3-aminophenoxy)acetate
CID 100615878
anisole;1,2-difluorobenzene;1,4-difluorobenzene;fluorobenzene;bis(1-fluoro-2-methoxybenzene);2-fluoro-1-methoxy-3-methylbenzene
CID 158254402
2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline
CID 107602929
3-(2,4-difluorophenoxy)aniline
CID 71424948
3,5-difluoro-4-(3-methoxyphenyl)aniline
CID 175669991
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxybenzene;3-methoxyaniline?
The IUPAC name of 1-fluoro-2-methoxybenzene;3-methoxyaniline (CID 174853611) is 1-fluoro-2-methoxybenzene;3-methoxyaniline.
What is the SMILES notation for 1-fluoro-2-methoxybenzene;3-methoxyaniline?
The canonical SMILES for 1-fluoro-2-methoxybenzene;3-methoxyaniline is COc1cccc(N)c1.COc1ccccc1F.
What is the InChIKey of 1-fluoro-2-methoxybenzene;3-methoxyaniline?
The InChIKey is ZVGKNXUXBSHPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO.C7H9NO/c1-9-7-5-3-2-4-6(7)8;1-9-7-4-2-3-6(8)5-7/h2-5H,1H3;2-5H,8H2,1H3.
What are the key properties of 1-fluoro-2-methoxybenzene;3-methoxyaniline?
1-fluoro-2-methoxybenzene;3-methoxyaniline has a molecular weight of 249.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxybenzene;3-methoxyaniline is sourced from PubChem (CID 174853611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).