(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine

C14H21FN2O — CID 55191185

IUPAC(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1N1CCOCC1(C)C
InChIInChI=1S/C14H21FN2O/c1-10(16)13-11(15)5-4-6-12(13)17-7-8-18-9-14(17,2)3/h4-6,10H,7-9,16H2,1-3H3/t10-/m0/s1
InChIKeyPRGRIGFNUBRYBO-JTQLQIEISA-N
MW252.33 g/mol
LogP2.46
Rot. Bonds2

About (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine

(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine (PubChem CID 55191185) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine
PubChem CID55191185
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1N1CCOCC1(C)C
InChIInChI=1S/C14H21FN2O/c1-10(16)13-11(15)5-4-6-12(13)17-7-8-18-9-14(17,2)3/h4-6,10H,7-9,16H2,1-3H3/t10-/m0/s1
InChIKeyPRGRIGFNUBRYBO-JTQLQIEISA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine (CID 55191185) is (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine is C[C@H](N)c1c(F)cccc1N1CCOCC1(C)C.
What is the InChIKey of (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine?
The InChIKey is PRGRIGFNUBRYBO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(16)13-11(15)5-4-6-12(13)17-7-8-18-9-14(17,2)3/h4-6,10H,7-9,16H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine?
(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine has a molecular weight of 252.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 55191185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).