2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine

C14H20FNO2 — CID 66473524

IUPAC2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCC1OCCCO1)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-16(8-7-14-17-9-2-10-18-14)11-12-3-5-13(15)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyOVEOAAAHFVUSII-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.41
Rot. Bonds5

About 2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine

2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine (PubChem CID 66473524) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine
PubChem CID66473524
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCC1OCCCO1)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-16(8-7-14-17-9-2-10-18-14)11-12-3-5-13(15)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyOVEOAAAHFVUSII-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine (CID 66473524) is 2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine is CN(CCC1OCCCO1)Cc1ccc(F)cc1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine?
The InChIKey is OVEOAAAHFVUSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16(8-7-14-17-9-2-10-18-14)11-12-3-5-13(15)6-4-12/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine?
2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine has a molecular weight of 253.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 66473524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).