2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride

C17H24ClFN2O3 — CID 120791793

IUPAC2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCOC(c2cccc(F)c2)C1)C1CCOCC1
InChIInChI=1S/C17H23FN2O3.ClH/c18-14-3-1-2-13(10-14)15-11-20(6-9-23-15)17(21)16(19)12-4-7-22-8-5-12;/h1-3,10,12,15-16H,4-9,11,19H2;1H
InChIKeyRIQMYXPBMJJNGV-UHFFFAOYSA-N
MW358.84 g/mol
LogP1.90
Rot. Bonds3

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

2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride (PubChem CID 120791793) has the molecular formula C17H24ClFN2O3 and a molecular weight of 358.84 g/mol. Its IUPAC name is 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride
PubChem CID120791793
Molecular FormulaC17H24ClFN2O3
Molecular Weight358.84 g/mol
Exact Mass358.15
IUPAC Name2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCOC(c2cccc(F)c2)C1)C1CCOCC1
InChIInChI=1S/C17H23FN2O3.ClH/c18-14-3-1-2-13(10-14)15-11-20(6-9-23-15)17(21)16(19)12-4-7-22-8-5-12;/h1-3,10,12,15-16H,4-9,11,19H2;1H
InChIKeyRIQMYXPBMJJNGV-UHFFFAOYSA-N
XLogP1.90
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668206
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone
CID 120792454
1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 111432690
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120786234
(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
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one
CID 136511968
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride (CID 120791793) is 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride is Cl.NC(C(=O)N1CCOC(c2cccc(F)c2)C1)C1CCOCC1.
What is the InChIKey of 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride?
The InChIKey is RIQMYXPBMJJNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3.ClH/c18-14-3-1-2-13(10-14)15-11-20(6-9-23-15)17(21)16(19)12-4-7-22-8-5-12;/h1-3,10,12,15-16H,4-9,11,19H2;1H.
What are the key properties of 2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride?
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride has a molecular weight of 358.84 g/mol, XLogP of 1.90, 3 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]-2-(oxan-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 120791793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).