2-(fluoromethoxy)-4-methylaniline

C8H10FNO — CID 123529275

IUPAC2-(fluoromethoxy)-4-methylaniline
SMILESCc1ccc(N)c(OCF)c1
InChIInChI=1S/C8H10FNO/c1-6-2-3-7(10)8(4-6)11-5-9/h2-4H,5,10H2,1H3
InChIKeyYEAIKKJEJLWVSJ-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.88
Rot. Bonds2

About 2-(fluoromethoxy)-4-methylaniline

2-(fluoromethoxy)-4-methylaniline (PubChem CID 123529275) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-(fluoromethoxy)-4-methylaniline.

Molecular Properties

Compound Name2-(fluoromethoxy)-4-methylaniline
PubChem CID123529275
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-(fluoromethoxy)-4-methylaniline
SMILESCc1ccc(N)c(OCF)c1
InChIInChI=1S/C8H10FNO/c1-6-2-3-7(10)8(4-6)11-5-9/h2-4H,5,10H2,1H3
InChIKeyYEAIKKJEJLWVSJ-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(fluoromethoxy)-4-methylbenzene
CID 57206944
4-methyl-2-propoxyaniline
CID 24698653
2-(3-methoxypropoxy)-4-methylaniline
CID 26189547
2-(ethoxymethoxy)-4-methylaniline
CID 65365090
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
2-[(3,4-difluorophenyl)methoxy]-4-methylaniline
CID 82918739
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
2-[(E)-3-chloroprop-2-enoxy]-4-methylaniline
CID 107899443
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
3-(2-amino-5-methylphenoxy)propanoic acid
CID 63948473
2-(2-ethoxyphenoxy)-4-methylaniline
CID 26189556
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethoxy)-4-methylaniline?
The IUPAC name of 2-(fluoromethoxy)-4-methylaniline (CID 123529275) is 2-(fluoromethoxy)-4-methylaniline.
What is the SMILES notation for 2-(fluoromethoxy)-4-methylaniline?
The canonical SMILES for 2-(fluoromethoxy)-4-methylaniline is Cc1ccc(N)c(OCF)c1.
What is the InChIKey of 2-(fluoromethoxy)-4-methylaniline?
The InChIKey is YEAIKKJEJLWVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-6-2-3-7(10)8(4-6)11-5-9/h2-4H,5,10H2,1H3.
What are the key properties of 2-(fluoromethoxy)-4-methylaniline?
2-(fluoromethoxy)-4-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 2-(fluoromethoxy)-4-methylaniline is sourced from PubChem (CID 123529275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).