2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline

C16H18FNO2 — CID 107655528

IUPAC2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline
SMILESCc1cccc(Oc2cccc(OC(C)C)c2N)c1F
InChIInChI=1S/C16H18FNO2/c1-10(2)19-13-8-5-9-14(16(13)18)20-12-7-4-6-11(3)15(12)17/h4-10H,18H2,1-3H3
InChIKeyJGMNDIBERMCUPS-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.30
Rot. Bonds4

About 2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline

2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline (PubChem CID 107655528) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline
PubChem CID107655528
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline
SMILESCc1cccc(Oc2cccc(OC(C)C)c2N)c1F
InChIInChI=1S/C16H18FNO2/c1-10(2)19-13-8-5-9-14(16(13)18)20-12-7-4-6-11(3)15(12)17/h4-10H,18H2,1-3H3
InChIKeyJGMNDIBERMCUPS-UHFFFAOYSA-N
XLogP4.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794
2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide
CID 107655417
2-(2-fluorophenoxy)-6-methylaniline
CID 20513508
6-(2-fluoro-3-methylphenoxy)quinolin-5-amine
CID 107655430
2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline
CID 113393427
1-[2-(2-fluoro-3-methylphenoxy)-6-methoxyphenyl]ethanol
CID 107659175
4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline
CID 107656372
4-(2-fluoro-3-methylphenoxy)-3-iodoaniline
CID 107655538
1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene
CID 70475927
1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
CID 107661710
(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
CID 107658799
4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine
CID 107655439

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline (CID 107655528) is 2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline is Cc1cccc(Oc2cccc(OC(C)C)c2N)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline?
The InChIKey is JGMNDIBERMCUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-10(2)19-13-8-5-9-14(16(13)18)20-12-7-4-6-11(3)15(12)17/h4-10H,18H2,1-3H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline?
2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline has a molecular weight of 275.32 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline is sourced from PubChem (CID 107655528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).