4-(5-fluoro-2-methoxyphenyl)oxan-4-amine

C12H16FNO2 — CID 80503676

IUPAC4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
SMILESCOc1ccc(F)cc1C1(N)CCOCC1
InChIInChI=1S/C12H16FNO2/c1-15-11-3-2-9(13)8-10(11)12(14)4-6-16-7-5-12/h2-3,8H,4-7,14H2,1H3
InChIKeyUQGRURKELHKJRF-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.80
Rot. Bonds2

About 4-(5-fluoro-2-methoxyphenyl)oxan-4-amine

4-(5-fluoro-2-methoxyphenyl)oxan-4-amine (PubChem CID 80503676) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)oxan-4-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
PubChem CID80503676
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
SMILESCOc1ccc(F)cc1C1(N)CCOCC1
InChIInChI=1S/C12H16FNO2/c1-15-11-3-2-9(13)8-10(11)12(14)4-6-16-7-5-12/h2-3,8H,4-7,14H2,1H3
InChIKeyUQGRURKELHKJRF-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
CID 82770544
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870
4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
CID 82297013
4-(chloromethyl)-4-(5-fluoro-2-methoxyphenyl)oxane
CID 82089670
3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine
CID 166607967
4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine
CID 83824702
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
4-(4-fluoro-2-methylphenyl)oxepan-4-amine
CID 65077011
8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 82770535
4-(5-fluoro-2-methoxyphenyl)-4-(isocyanatomethyl)oxane
CID 82091697
3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82769169
1-(2-methoxy-5-morpholin-4-ylphenyl)cyclohexan-1-amine
CID 117469481

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)oxan-4-amine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)oxan-4-amine (CID 80503676) is 4-(5-fluoro-2-methoxyphenyl)oxan-4-amine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)oxan-4-amine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)oxan-4-amine is COc1ccc(F)cc1C1(N)CCOCC1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)oxan-4-amine?
The InChIKey is UQGRURKELHKJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-15-11-3-2-9(13)8-10(11)12(14)4-6-16-7-5-12/h2-3,8H,4-7,14H2,1H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)oxan-4-amine?
4-(5-fluoro-2-methoxyphenyl)oxan-4-amine has a molecular weight of 225.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)oxan-4-amine is sourced from PubChem (CID 80503676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).