1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone

C14H19FN2O2 — CID 99849466

IUPAC1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone
SMILESC[C@H](N)[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1
InChIInChI=1S/C14H19FN2O2/c1-10(16)13-9-17(6-7-19-13)14(18)8-11-4-2-3-5-12(11)15/h2-5,10,13H,6-9,16H2,1H3/t10-,13-/m0/s1
InChIKeyPHPPCKGHEXQWDO-GWCFXTLKSA-N
MW266.32 g/mol
LogP0.94
Rot. Bonds3

About 1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone

1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 99849466) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone
PubChem CID99849466
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone
SMILESC[C@H](N)[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1
InChIInChI=1S/C14H19FN2O2/c1-10(16)13-9-17(6-7-19-13)14(18)8-11-4-2-3-5-12(11)15/h2-5,10,13H,6-9,16H2,1H3/t10-,13-/m0/s1
InChIKeyPHPPCKGHEXQWDO-GWCFXTLKSA-N
XLogP0.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)morpholin-4-yl]-2-(2-chlorophenyl)ethanone
CID 81485233
1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 81424795
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 81485666
1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81483913
1-[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 125015943
2-(2-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662366
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
CID 81484165
(2R)-2-amino-1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119306879
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246
[2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
CID 114610612
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone (CID 99849466) is 1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone is C[C@H](N)[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1.
What is the InChIKey of 1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is PHPPCKGHEXQWDO-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10(16)13-9-17(6-7-19-13)14(18)8-11-4-2-3-5-12(11)15/h2-5,10,13H,6-9,16H2,1H3/t10-,13-/m0/s1.
What are the key properties of 1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone?
1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 266.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 99849466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).