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

C12H16FNO2 — CID 82777681

IUPAC[2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCc1ccc(C2(C)OCC(CN)O2)cc1F
InChIInChI=1S/C12H16FNO2/c1-8-3-4-9(5-11(8)13)12(2)15-7-10(6-14)16-12/h3-5,10H,6-7,14H2,1-2H3
InChIKeyWOJLSHMTPSLVEL-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.68
Rot. Bonds2

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

[2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 82777681) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
PubChem CID82777681
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCc1ccc(C2(C)OCC(CN)O2)cc1F
InChIInChI=1S/C12H16FNO2/c1-8-3-4-9(5-11(8)13)12(2)15-7-10(6-14)16-12/h3-5,10H,6-7,14H2,1-2H3
InChIKeyWOJLSHMTPSLVEL-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine (CID 82777681) is [2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine is Cc1ccc(C2(C)OCC(CN)O2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is WOJLSHMTPSLVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-3-4-9(5-11(8)13)12(2)15-7-10(6-14)16-12/h3-5,10H,6-7,14H2,1-2H3.
What are the key properties of [2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
[2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 225.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 82777681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).