[2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine

C12H16FNO3 — CID 82117511

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCOc1ccc(F)cc1C1(C)OCC(CN)O1
InChIInChI=1S/C12H16FNO3/c1-12(16-7-9(6-14)17-12)10-5-8(13)3-4-11(10)15-2/h3-5,9H,6-7,14H2,1-2H3
InChIKeyOCRSTVAMFWNSBE-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.38
Rot. Bonds3

About [2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine

[2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 82117511) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
PubChem CID82117511
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCOc1ccc(F)cc1C1(C)OCC(CN)O1
InChIInChI=1S/C12H16FNO3/c1-12(16-7-9(6-14)17-12)10-5-8(13)3-4-11(10)15-2/h3-5,9H,6-7,14H2,1-2H3
InChIKeyOCRSTVAMFWNSBE-UHFFFAOYSA-N
XLogP1.38
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxy-5-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 79017649
[2-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82124722
[2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82122630
4-(chloromethyl)-2-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82775842
[(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine
CID 143195185
[2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine
CID 82119208
2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959412
[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
CID 140530635
2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine
CID 117169899
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870
2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 83959424
4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
CID 80503676

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine (CID 82117511) is [2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine is COc1ccc(F)cc1C1(C)OCC(CN)O1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is OCRSTVAMFWNSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(16-7-9(6-14)17-12)10-5-8(13)3-4-11(10)15-2/h3-5,9H,6-7,14H2,1-2H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
[2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 241.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 82117511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).