2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride

C14H20ClFN2O3 — CID 120988772

IUPAC2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCOC(c2cccc(F)c2)C1.Cl
InChIInChI=1S/C14H19FN2O3.ClH/c1-19-9-12(16)14(18)17-5-6-20-13(8-17)10-3-2-4-11(15)7-10;/h2-4,7,12-13H,5-6,8-9,16H2,1H3;1H
InChIKeyNEQVGWDYNOLUDB-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.12
Rot. Bonds4

About 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride

2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride (PubChem CID 120988772) has the molecular formula C14H20ClFN2O3 and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
PubChem CID120988772
Molecular FormulaC14H20ClFN2O3
Molecular Weight318.78 g/mol
Exact Mass318.11
IUPAC Name2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCOC(c2cccc(F)c2)C1.Cl
InChIInChI=1S/C14H19FN2O3.ClH/c1-19-9-12(16)14(18)17-5-6-20-13(8-17)10-3-2-4-11(15)7-10;/h2-4,7,12-13H,5-6,8-9,16H2,1H3;1H
InChIKeyNEQVGWDYNOLUDB-UHFFFAOYSA-N
XLogP1.12
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
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2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
CID 120988781
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride
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2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668206
1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120989276
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one
CID 136511968
2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride
CID 75449543
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 111432690
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride (CID 120988772) is 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride is COCC(N)C(=O)N1CCOC(c2cccc(F)c2)C1.Cl.
What is the InChIKey of 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride?
The InChIKey is NEQVGWDYNOLUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3.ClH/c1-19-9-12(16)14(18)17-5-6-20-13(8-17)10-3-2-4-11(15)7-10;/h2-4,7,12-13H,5-6,8-9,16H2,1H3;1H.
What are the key properties of 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride?
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride has a molecular weight of 318.78 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride is sourced from PubChem (CID 120988772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).