[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine

C12H17FN2O — CID 43313714

IUPAC[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine
SMILESCC1CN(c2ccc(F)cc2CN)CCO1
InChIInChI=1S/C12H17FN2O/c1-9-8-15(4-5-16-9)12-3-2-11(13)6-10(12)7-14/h2-3,6,9H,4-5,7-8,14H2,1H3
InChIKeyAIBNKIVWNILGMN-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.51
Rot. Bonds2

About [5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine

[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine (PubChem CID 43313714) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine
PubChem CID43313714
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine
SMILESCC1CN(c2ccc(F)cc2CN)CCO1
InChIInChI=1S/C12H17FN2O/c1-9-8-15(4-5-16-9)12-3-2-11(13)6-10(12)7-14/h2-3,6,9H,4-5,7-8,14H2,1H3
InChIKeyAIBNKIVWNILGMN-UHFFFAOYSA-N
XLogP1.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine (CID 43313714) is [5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine is CC1CN(c2ccc(F)cc2CN)CCO1.
What is the InChIKey of [5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine?
The InChIKey is AIBNKIVWNILGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9-8-15(4-5-16-9)12-3-2-11(13)6-10(12)7-14/h2-3,6,9H,4-5,7-8,14H2,1H3.
What are the key properties of [5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine?
[5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine has a molecular weight of 224.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(2-methylmorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 43313714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).