[5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine

C14H20FNO — CID 59825606

IUPAC[5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine
SMILESCc1cc(CCC2CCC(CN)O2)ccc1F
InChIInChI=1S/C14H20FNO/c1-10-8-11(3-7-14(10)15)2-4-12-5-6-13(9-16)17-12/h3,7-8,12-13H,2,4-6,9,16H2,1H3
InChIKeyTUFUEPZFVKFOAT-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.57
Rot. Bonds4

About [5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine

[5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine (PubChem CID 59825606) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine
PubChem CID59825606
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine
SMILESCc1cc(CCC2CCC(CN)O2)ccc1F
InChIInChI=1S/C14H20FNO/c1-10-8-11(3-7-14(10)15)2-4-12-5-6-13(9-16)17-12/h3,7-8,12-13H,2,4-6,9,16H2,1H3
InChIKeyTUFUEPZFVKFOAT-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine (CID 59825606) is [5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine is Cc1cc(CCC2CCC(CN)O2)ccc1F.
What is the InChIKey of [5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine?
The InChIKey is TUFUEPZFVKFOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-8-11(3-7-14(10)15)2-4-12-5-6-13(9-16)17-12/h3,7-8,12-13H,2,4-6,9,16H2,1H3.
What are the key properties of [5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine?
[5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 59825606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).