3-fluoro-4-methoxy-N-methylaniline

C8H10FNO — CID 21307269

IUPAC3-fluoro-4-methoxy-N-methylaniline
SMILESCNc1ccc(OC)c(F)c1
InChIInChI=1S/C8H10FNO/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,10H,1-2H3
InChIKeyPSKWYWANKQMURA-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.88
Rot. Bonds2

About 3-fluoro-4-methoxy-N-methylaniline

3-fluoro-4-methoxy-N-methylaniline (PubChem CID 21307269) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-methylaniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-methylaniline
PubChem CID21307269
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name3-fluoro-4-methoxy-N-methylaniline
SMILESCNc1ccc(OC)c(F)c1
InChIInChI=1S/C8H10FNO/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,10H,1-2H3
InChIKeyPSKWYWANKQMURA-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
CID 43380738
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80778681
3-fluoro-4-methoxy-N-prop-2-enylaniline
CID 62141069
3-fluoro-4-methoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917448
3,4-difluoro-N-methylaniline;ethane
CID 143398651
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
3-fluoro-N-methyl-4-(methylsulfonylmethoxy)aniline
CID 71179322
N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline
CID 82536944
4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline
CID 176688686

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-methylaniline?
The IUPAC name of 3-fluoro-4-methoxy-N-methylaniline (CID 21307269) is 3-fluoro-4-methoxy-N-methylaniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-methylaniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-methylaniline is CNc1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-4-methoxy-N-methylaniline?
The InChIKey is PSKWYWANKQMURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,10H,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-methylaniline?
3-fluoro-4-methoxy-N-methylaniline has a molecular weight of 155.17 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-methylaniline is sourced from PubChem (CID 21307269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).