5-(4-fluoro-2-methylphenyl)-2-methoxyaniline

C14H14FNO — CID 54971518

IUPAC5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
SMILESCOc1ccc(-c2ccc(F)cc2C)cc1N
InChIInChI=1S/C14H14FNO/c1-9-7-11(15)4-5-12(9)10-3-6-14(17-2)13(16)8-10/h3-8H,16H2,1-2H3
InChIKeyWSGXFZDZILJJBI-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.39
Rot. Bonds2

About 5-(4-fluoro-2-methylphenyl)-2-methoxyaniline

5-(4-fluoro-2-methylphenyl)-2-methoxyaniline (PubChem CID 54971518) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
PubChem CID54971518
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
SMILESCOc1ccc(-c2ccc(F)cc2C)cc1N
InChIInChI=1S/C14H14FNO/c1-9-7-11(15)4-5-12(9)10-3-6-14(17-2)13(16)8-10/h3-8H,16H2,1-2H3
InChIKeyWSGXFZDZILJJBI-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

5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
2-methoxy-5-(3-methyl-4-pyridinyl)aniline
CID 66278830
4-(3-fluorophenyl)-2-methoxy-5-methylaniline
CID 171037302
4-(3-amino-4-methoxyphenyl)benzene-1,3-diamine
CID 22062010
2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
CID 83008312
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
CID 54912636
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
2-methoxy-5-(4-methyl-3-pyridinyl)aniline
CID 66272306
2-methoxy-5-(2,4,6-trimethylphenyl)aniline
CID 54971573
5-(5-fluoro-2-methoxyphenyl)-2-methylphenol
CID 53218963
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
CID 65436397

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-2-methoxyaniline?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)-2-methoxyaniline (CID 54971518) is 5-(4-fluoro-2-methylphenyl)-2-methoxyaniline.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-2-methoxyaniline?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-2-methoxyaniline is COc1ccc(-c2ccc(F)cc2C)cc1N.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-2-methoxyaniline?
The InChIKey is WSGXFZDZILJJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-7-11(15)4-5-12(9)10-3-6-14(17-2)13(16)8-10/h3-8H,16H2,1-2H3.
What are the key properties of 5-(4-fluoro-2-methylphenyl)-2-methoxyaniline?
5-(4-fluoro-2-methylphenyl)-2-methoxyaniline 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 5-(4-fluoro-2-methylphenyl)-2-methoxyaniline is sourced from PubChem (CID 54971518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).