2-fluoro-6-methoxy-3-methylaniline

C8H10FNO — CID 84763578

IUPAC2-fluoro-6-methoxy-3-methylaniline
SMILESCOc1ccc(C)c(F)c1N
InChIInChI=1S/C8H10FNO/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4H,10H2,1-2H3
InChIKeyMMGYCZLSBOIPJE-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.72
Rot. Bonds1

About 2-fluoro-6-methoxy-3-methylaniline

2-fluoro-6-methoxy-3-methylaniline (PubChem CID 84763578) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-3-methylaniline.

Molecular Properties

Compound Name2-fluoro-6-methoxy-3-methylaniline
PubChem CID84763578
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-fluoro-6-methoxy-3-methylaniline
SMILESCOc1ccc(C)c(F)c1N
InChIInChI=1S/C8H10FNO/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4H,10H2,1-2H3
InChIKeyMMGYCZLSBOIPJE-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.72
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

2-chloro-6-methoxy-3-methylaniline
CID 84766117
3-fluoro-6-methoxy-2-methylaniline;hydrochloride
CID 162333711
2-bromo-6-methoxy-3-methylaniline
CID 84784559
2-fluoro-3,6-dimethylaniline
CID 67968158
methyl 3-amino-2-fluoro-4-methoxybenzoate
CID 84668671
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
CID 131481982
2,7-dimethoxynaphthalene-1,8-diamine
CID 12868710
ethane;2-fluoro-3-methoxy-6-methylbenzonitrile
CID 144958009
2,6-dimethoxyaniline;ethane
CID 145233133
4-chloro-2,3-difluoro-6-methoxyaniline
CID 170781389
2,3-diamino-4-methoxyphenol
CID 70465216
5-methoxy-2,3-dimethyl-1H-indol-4-amine
CID 84771527

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-3-methylaniline?
The IUPAC name of 2-fluoro-6-methoxy-3-methylaniline (CID 84763578) is 2-fluoro-6-methoxy-3-methylaniline.
What is the SMILES notation for 2-fluoro-6-methoxy-3-methylaniline?
The canonical SMILES for 2-fluoro-6-methoxy-3-methylaniline is COc1ccc(C)c(F)c1N.
What is the InChIKey of 2-fluoro-6-methoxy-3-methylaniline?
The InChIKey is MMGYCZLSBOIPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4H,10H2,1-2H3.
What are the key properties of 2-fluoro-6-methoxy-3-methylaniline?
2-fluoro-6-methoxy-3-methylaniline has a molecular weight of 155.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-3-methylaniline is sourced from PubChem (CID 84763578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).