(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C16H24FNO2 — CID 105052799

IUPAC(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCOc1cc(C(N)C2CC(C)(C)OC2(C)C)ccc1F
InChIInChI=1S/C16H24FNO2/c1-15(2)9-11(16(3,4)20-15)14(18)10-6-7-12(17)13(8-10)19-5/h6-8,11,14H,9,18H2,1-5H3
InChIKeyICXBRTCKGLBOGJ-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.43
Rot. Bonds3

About (4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 105052799) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID105052799
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCOc1cc(C(N)C2CC(C)(C)OC2(C)C)ccc1F
InChIInChI=1S/C16H24FNO2/c1-15(2)9-11(16(3,4)20-15)14(18)10-6-7-12(17)13(8-10)19-5/h6-8,11,14H,9,18H2,1-5H3
InChIKeyICXBRTCKGLBOGJ-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623396
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602
(3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114621967
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105017002
[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053018
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105201628
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 105052799) is (4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is COc1cc(C(N)C2CC(C)(C)OC2(C)C)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is ICXBRTCKGLBOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-15(2)9-11(16(3,4)20-15)14(18)10-6-7-12(17)13(8-10)19-5/h6-8,11,14H,9,18H2,1-5H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 281.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105052799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).