1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine

C14H21FN2O2 — CID 82770581

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
SMILESCNC(c1cc(F)ccc1OC)C1CN(C)CCO1
InChIInChI=1S/C14H21FN2O2/c1-16-14(13-9-17(2)6-7-19-13)11-8-10(15)4-5-12(11)18-3/h4-5,8,13-14,16H,6-7,9H2,1-3H3
InChIKeyCMIIIYYADRUSHG-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.43
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine

1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine (PubChem CID 82770581) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
PubChem CID82770581
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
SMILESCNC(c1cc(F)ccc1OC)C1CN(C)CCO1
InChIInChI=1S/C14H21FN2O2/c1-16-14(13-9-17(2)6-7-19-13)11-8-10(15)4-5-12(11)18-3/h4-5,8,13-14,16H,6-7,9H2,1-3H3
InChIKeyCMIIIYYADRUSHG-UHFFFAOYSA-N
XLogP1.43
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine (CID 82770581) is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine is CNC(c1cc(F)ccc1OC)C1CN(C)CCO1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is CMIIIYYADRUSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-16-14(13-9-17(2)6-7-19-13)11-8-10(15)4-5-12(11)18-3/h4-5,8,13-14,16H,6-7,9H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 268.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 82770581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).