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

C17H26ClFN2O2 — CID 119770399

IUPAC7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2O2.ClH/c18-15-7-5-6-14(12-15)16-13-20(10-11-22-16)17(21)8-3-1-2-4-9-19;/h5-7,12,16H,1-4,8-11,13,19H2;1H
InChIKeyIQJMZFXHPJYDPC-UHFFFAOYSA-N
MW344.86 g/mol
LogP3.06
Rot. Bonds7

About 7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride

7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride (PubChem CID 119770399) has the molecular formula C17H26ClFN2O2 and a molecular weight of 344.86 g/mol. Its IUPAC name is 7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride.

Molecular Properties

Compound Name7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
PubChem CID119770399
Molecular FormulaC17H26ClFN2O2
Molecular Weight344.86 g/mol
Exact Mass344.17
IUPAC Name7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2O2.ClH/c18-15-7-5-6-14(12-15)16-13-20(10-11-22-16)17(21)8-3-1-2-4-9-19;/h5-7,12,16H,1-4,8-11,13,19H2;1H
InChIKeyIQJMZFXHPJYDPC-UHFFFAOYSA-N
XLogP3.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
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
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119770425
7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119774901
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

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride?
The IUPAC name of 7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride (CID 119770399) is 7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride.
What is the SMILES notation for 7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride?
The canonical SMILES for 7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride is Cl.NCCCCCCC(=O)N1CCOC(c2cccc(F)c2)C1.
What is the InChIKey of 7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride?
The InChIKey is IQJMZFXHPJYDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2.ClH/c18-15-7-5-6-14(12-15)16-13-20(10-11-22-16)17(21)8-3-1-2-4-9-19;/h5-7,12,16H,1-4,8-11,13,19H2;1H.
What are the key properties of 7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride?
7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride has a molecular weight of 344.86 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride is sourced from PubChem (CID 119770399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).