4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline

C14H20FNO3 — CID 107259948

IUPAC4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline
SMILESCOc1cc(OC2CC(C)OC(C)C2)c(F)cc1N
InChIInChI=1S/C14H20FNO3/c1-8-4-10(5-9(2)18-8)19-13-7-14(17-3)12(16)6-11(13)15/h6-10H,4-5,16H2,1-3H3
InChIKeyJZKDZFGFYNQHQF-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.75
Rot. Bonds3

About 4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline

4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline (PubChem CID 107259948) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline.

Molecular Properties

Compound Name4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline
PubChem CID107259948
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline
SMILESCOc1cc(OC2CC(C)OC(C)C2)c(F)cc1N
InChIInChI=1S/C14H20FNO3/c1-8-4-10(5-9(2)18-8)19-13-7-14(17-3)12(16)6-11(13)15/h6-10H,4-5,16H2,1-3H3
InChIKeyJZKDZFGFYNQHQF-UHFFFAOYSA-N
XLogP2.75
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(2,6-dimethyloxan-4-yl)oxy-5-fluoroaniline
CID 116736563
2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline
CID 114340502
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline
CID 64750398
4-(3,5-difluorophenoxy)-5-fluoro-2-methoxyaniline
CID 107259895
2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline
CID 63599683
2,5-difluoro-4-methoxyaniline
CID 45090681
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
2-cyclopentyloxy-4,5-dimethoxyaniline
CID 83008231
2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline
CID 63597631
4-(difluoromethoxy)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoroaniline
CID 104957827
4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
CID 114543148

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline?
The IUPAC name of 4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline (CID 107259948) is 4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline.
What is the SMILES notation for 4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline?
The canonical SMILES for 4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline is COc1cc(OC2CC(C)OC(C)C2)c(F)cc1N.
What is the InChIKey of 4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline?
The InChIKey is JZKDZFGFYNQHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-8-4-10(5-9(2)18-8)19-13-7-14(17-3)12(16)6-11(13)15/h6-10H,4-5,16H2,1-3H3.
What are the key properties of 4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline?
4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline has a molecular weight of 269.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline is sourced from PubChem (CID 107259948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).