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

C14H20FNO2 — CID 66474321

IUPAC2-(1,3-dioxan-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCC1OCCCO1)Cc1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-16(7-6-14-17-8-3-9-18-14)11-12-4-2-5-13(15)10-12/h2,4-5,10,14H,3,6-9,11H2,1H3
InChIKeyXWDCOZRLCIUFIH-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.41
Rot. Bonds5

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

2-(1,3-dioxan-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine (PubChem CID 66474321) 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-[(3-fluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
PubChem CID66474321
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(1,3-dioxan-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCC1OCCCO1)Cc1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-16(7-6-14-17-8-3-9-18-14)11-12-4-2-5-13(15)10-12/h2,4-5,10,14H,3,6-9,11H2,1H3
InChIKeyXWDCOZRLCIUFIH-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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Related Compounds

N-[1,3-dioxan-5-yl(phenyl)methyl]-N-methylprop-2-en-1-amine;hydrochloride
CID 12370008
N,N,2-Trimethyl-alpha-phenyl-m-dioxane-5-methylamine
CID 12370021
1-(2-ethyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine
CID 12370022
N,N-dimethyl-1-phenyl-1-(2-propan-2-yl-1,3-dioxan-5-yl)methanamine;hydrochloride
CID 12370024
1-(1,3-dioxan-5-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine;hydrochloride
CID 12369973
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
1-Benzyl-4,4-dimethoxypiperidine
CID 563186
N-benzyl-2,2-dimethoxy-N-methylethanamine
CID 273620
N-(2,2-dimethoxyethyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 12624914
3-Benzyl-2-methylperhydro-1,3-oxazine
CID 14596184
N,N-dibenzyl-1,1-dimethoxymethanamine
CID 11129415
N-[(3-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine
CID 66223835

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-(1,3-dioxan-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine (CID 66474321) is 2-(1,3-dioxan-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(1,3-dioxan-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine is CN(CCC1OCCCO1)Cc1cccc(F)c1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The InChIKey is XWDCOZRLCIUFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16(7-6-14-17-8-3-9-18-14)11-12-4-2-5-13(15)10-12/h2,4-5,10,14H,3,6-9,11H2,1H3.
What are the key properties of 2-(1,3-dioxan-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
2-(1,3-dioxan-2-yl)-N-[(3-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-[(3-fluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 66474321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).