2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride

C17H27ClN2O3 — CID 75449543

IUPAC2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride
SMILESCCCCC(N)C(=O)N1CCOC(c2cccc(OC)c2)C1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-3-4-8-15(18)17(20)19-9-10-22-16(12-19)13-6-5-7-14(11-13)21-2;/h5-7,11,15-16H,3-4,8-10,12,18H2,1-2H3;1H
InChIKeyOXMBXWQZNPKNHL-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.53
Rot. Bonds6

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

2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride (PubChem CID 75449543) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride
PubChem CID75449543
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride
SMILESCCCCC(N)C(=O)N1CCOC(c2cccc(OC)c2)C1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-3-4-8-15(18)17(20)19-9-10-22-16(12-19)13-6-5-7-14(11-13)21-2;/h5-7,11,15-16H,3-4,8-10,12,18H2,1-2H3;1H
InChIKeyOXMBXWQZNPKNHL-UHFFFAOYSA-N
XLogP2.53
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one
CID 97341648
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
(2S)-2-amino-1-[(2S)-2-(3-methoxyphenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99852551
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
CID 60939455
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
CID 120988781
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one
CID 119302691
(5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone
CID 124573395

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride (CID 75449543) is 2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride is CCCCC(N)C(=O)N1CCOC(c2cccc(OC)c2)C1.Cl.
What is the InChIKey of 2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride?
The InChIKey is OXMBXWQZNPKNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-3-4-8-15(18)17(20)19-9-10-22-16(12-19)13-6-5-7-14(11-13)21-2;/h5-7,11,15-16H,3-4,8-10,12,18H2,1-2H3;1H.
What are the key properties of 2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride?
2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.53, 6 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-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride is sourced from PubChem (CID 75449543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).