1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride

C16H24ClNO4 — CID 17065256

IUPAC1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride
SMILESCc1ccccc1OCC(=O)OC(C)CN1CCOCC1.Cl
InChIInChI=1S/C16H23NO4.ClH/c1-13-5-3-4-6-15(13)20-12-16(18)21-14(2)11-17-7-9-19-10-8-17;/h3-6,14H,7-12H2,1-2H3;1H
InChIKeyHNJJZBTZBJBDNT-UHFFFAOYSA-N
MW329.82 g/mol
LogP2.06
Rot. Bonds6

About 1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride

1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride (PubChem CID 17065256) has the molecular formula C16H24ClNO4 and a molecular weight of 329.82 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride
PubChem CID17065256
Molecular FormulaC16H24ClNO4
Molecular Weight329.82 g/mol
Exact Mass329.14
IUPAC Name1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride
SMILESCc1ccccc1OCC(=O)OC(C)CN1CCOCC1.Cl
InChIInChI=1S/C16H23NO4.ClH/c1-13-5-3-4-6-15(13)20-12-16(18)21-14(2)11-17-7-9-19-10-8-17;/h3-6,14H,7-12H2,1-2H3;1H
InChIKeyHNJJZBTZBJBDNT-UHFFFAOYSA-N
XLogP2.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
CID 649208
[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 932357
1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
CID 53347672
1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate
CID 25239325
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
CID 75399143
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
CID 2928612
(2R)-2-(2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 93488370

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride (CID 17065256) is 1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride is Cc1ccccc1OCC(=O)OC(C)CN1CCOCC1.Cl.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride?
The InChIKey is HNJJZBTZBJBDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4.ClH/c1-13-5-3-4-6-15(13)20-12-16(18)21-14(2)11-17-7-9-19-10-8-17;/h3-6,14H,7-12H2,1-2H3;1H.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride?
1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride has a molecular weight of 329.82 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride is sourced from PubChem (CID 17065256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).