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

C17H26Cl2N2O2 — CID 119774901

IUPAC7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCOC(c2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O2.ClH/c18-15-8-5-4-7-14(15)16-13-20(11-12-22-16)17(21)9-3-1-2-6-10-19;/h4-5,7-8,16H,1-3,6,9-13,19H2;1H
InChIKeyXJSWRWCCKCTTDK-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.57
Rot. Bonds7

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

7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride (PubChem CID 119774901) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is 7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride.

Molecular Properties

Compound Name7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
PubChem CID119774901
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC Name7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCOC(c2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O2.ClH/c18-15-8-5-4-7-14(15)16-13-20(11-12-22-16)17(21)9-3-1-2-6-10-19;/h4-5,7-8,16H,1-3,6,9-13,19H2;1H
InChIKeyXJSWRWCCKCTTDK-UHFFFAOYSA-N
XLogP3.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.57
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

1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119770399
1-[2-(2-chlorophenyl)morpholin-4-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110356589
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110326851
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone
CID 95336958
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 95281367
3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride
CID 120500448

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride?
The IUPAC name of 7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride (CID 119774901) is 7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride.
What is the SMILES notation for 7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride?
The canonical SMILES for 7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride is Cl.NCCCCCCC(=O)N1CCOC(c2ccccc2Cl)C1.
What is the InChIKey of 7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride?
The InChIKey is XJSWRWCCKCTTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2.ClH/c18-15-8-5-4-7-14(15)16-13-20(11-12-22-16)17(21)9-3-1-2-6-10-19;/h4-5,7-8,16H,1-3,6,9-13,19H2;1H.
What are the key properties of 7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride?
7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride has a molecular weight of 361.31 g/mol, XLogP of 3.57, 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-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride is sourced from PubChem (CID 119774901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).