[3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine

C14H20FNO2 — CID 116520913

IUPAC[3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine
SMILESCC1(C)CCC(COc2cc(F)cc(CN)c2)O1
InChIInChI=1S/C14H20FNO2/c1-14(2)4-3-12(18-14)9-17-13-6-10(8-16)5-11(15)7-13/h5-7,12H,3-4,8-9,16H2,1-2H3
InChIKeyYWHILIHWEYIKCN-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.62
Rot. Bonds4

About [3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine

[3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine (PubChem CID 116520913) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine
PubChem CID116520913
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine
SMILESCC1(C)CCC(COc2cc(F)cc(CN)c2)O1
InChIInChI=1S/C14H20FNO2/c1-14(2)4-3-12(18-14)9-17-13-6-10(8-16)5-11(15)7-13/h5-7,12H,3-4,8-9,16H2,1-2H3
InChIKeyYWHILIHWEYIKCN-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine?
The IUPAC name of [3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine (CID 116520913) is [3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine?
The canonical SMILES for [3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine is CC1(C)CCC(COc2cc(F)cc(CN)c2)O1.
What is the InChIKey of [3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine?
The InChIKey is YWHILIHWEYIKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-14(2)4-3-12(18-14)9-17-13-6-10(8-16)5-11(15)7-13/h5-7,12H,3-4,8-9,16H2,1-2H3.
What are the key properties of [3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine?
[3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine has a molecular weight of 253.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine is sourced from PubChem (CID 116520913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).