2-fluoro-4-(3-methoxyphenyl)-5-methylaniline

C14H14FNO — CID 68764353

IUPAC2-fluoro-4-(3-methoxyphenyl)-5-methylaniline
SMILESCOc1cccc(-c2cc(F)c(N)cc2C)c1
InChIInChI=1S/C14H14FNO/c1-9-6-14(16)13(15)8-12(9)10-4-3-5-11(7-10)17-2/h3-8H,16H2,1-2H3
InChIKeyHYJBCYPPFGCSBV-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.39
Rot. Bonds2

About 2-fluoro-4-(3-methoxyphenyl)-5-methylaniline

2-fluoro-4-(3-methoxyphenyl)-5-methylaniline (PubChem CID 68764353) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-fluoro-4-(3-methoxyphenyl)-5-methylaniline.

Molecular Properties

Compound Name2-fluoro-4-(3-methoxyphenyl)-5-methylaniline
PubChem CID68764353
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-fluoro-4-(3-methoxyphenyl)-5-methylaniline
SMILESCOc1cccc(-c2cc(F)c(N)cc2C)c1
InChIInChI=1S/C14H14FNO/c1-9-6-14(16)13(15)8-12(9)10-4-3-5-11(7-10)17-2/h3-8H,16H2,1-2H3
InChIKeyHYJBCYPPFGCSBV-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.39
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-(3-methoxyphenyl)-2-methylaniline
CID 171906263
3,5-difluoro-4-(3-methoxyphenyl)aniline
CID 175669991
4-(3-fluorophenyl)-2-methoxy-5-methylaniline
CID 171037302
4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile
CID 172914645
2-(3-methoxyphenyl)-1,4-dimethylbenzene
CID 66641424
2,3-difluoro-5-(3-methoxyphenyl)aniline
CID 165495342
5-(3-chlorophenyl)-2-fluoro-4-methylaniline
CID 168928680
3-chloro-4-fluoro-5-(3-methoxyphenyl)aniline
CID 165495622
4-amino-2-fluoro-5-(3-methoxyphenyl)benzonitrile
CID 168654720
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-methoxyphenyl)-5-methylaniline?
The IUPAC name of 2-fluoro-4-(3-methoxyphenyl)-5-methylaniline (CID 68764353) is 2-fluoro-4-(3-methoxyphenyl)-5-methylaniline.
What is the SMILES notation for 2-fluoro-4-(3-methoxyphenyl)-5-methylaniline?
The canonical SMILES for 2-fluoro-4-(3-methoxyphenyl)-5-methylaniline is COc1cccc(-c2cc(F)c(N)cc2C)c1.
What is the InChIKey of 2-fluoro-4-(3-methoxyphenyl)-5-methylaniline?
The InChIKey is HYJBCYPPFGCSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-6-14(16)13(15)8-12(9)10-4-3-5-11(7-10)17-2/h3-8H,16H2,1-2H3.
What are the key properties of 2-fluoro-4-(3-methoxyphenyl)-5-methylaniline?
2-fluoro-4-(3-methoxyphenyl)-5-methylaniline has a molecular weight of 231.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-methoxyphenyl)-5-methylaniline is sourced from PubChem (CID 68764353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).