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

C13H18ClFN2O2 — CID 119315907

IUPAC3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C13H17FN2O2.ClH/c14-11-3-1-2-10(8-11)12-9-16(6-7-18-12)13(17)4-5-15;/h1-3,8,12H,4-7,9,15H2;1H
InChIKeyMDMLLLOGBMIBCN-UHFFFAOYSA-N
MW288.75 g/mol
LogP1.50
Rot. Bonds3

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

3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride (PubChem CID 119315907) has the molecular formula C13H18ClFN2O2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
PubChem CID119315907
Molecular FormulaC13H18ClFN2O2
Molecular Weight288.75 g/mol
Exact Mass288.10
IUPAC Name3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C13H17FN2O2.ClH/c14-11-3-1-2-10(8-11)12-9-16(6-7-18-12)13(17)4-5-15;/h1-3,8,12H,4-7,9,15H2;1H
InChIKeyMDMLLLOGBMIBCN-UHFFFAOYSA-N
XLogP1.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119770399
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119770425
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119770443
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 154892310

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride (CID 119315907) is 3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride is Cl.NCCC(=O)N1CCOC(c2cccc(F)c2)C1.
What is the InChIKey of 3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride?
The InChIKey is MDMLLLOGBMIBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2.ClH/c14-11-3-1-2-10(8-11)12-9-16(6-7-18-12)13(17)4-5-15;/h1-3,8,12H,4-7,9,15H2;1H.
What are the key properties of 3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride?
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride has a molecular weight of 288.75 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119315907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).