1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride

C15H21ClNO3- — CID 53347672

IUPAC1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
SMILESCc1ccccc1C(=O)OC(C)CN1CCOCC1.[Cl-]
InChIInChI=1S/C15H21NO3.ClH/c1-12-5-3-4-6-14(12)15(17)19-13(2)11-16-7-9-18-10-8-16;/h3-6,13H,7-11H2,1-2H3;1H/p-1
InChIKeyGLTWYDXWZCAXHD-UHFFFAOYSA-M
MW298.79 g/mol
LogP-1.12
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride

1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride (PubChem CID 53347672) has the molecular formula C15H21ClNO3- and a molecular weight of 298.79 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
PubChem CID53347672
Molecular FormulaC15H21ClNO3-
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
SMILESCc1ccccc1C(=O)OC(C)CN1CCOCC1.[Cl-]
InChIInChI=1S/C15H21NO3.ClH/c1-12-5-3-4-6-14(12)15(17)19-13(2)11-16-7-9-18-10-8-16;/h3-6,13H,7-11H2,1-2H3;1H/p-1
InChIKeyGLTWYDXWZCAXHD-UHFFFAOYSA-M
XLogP-1.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
CID 2928894
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
CID 75399143
1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride
CID 17065256
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
[(2S)-1-morpholin-4-ylpropan-2-yl] 1-tert-butyl-5-methylpyrazole-4-carboxylate
CID 97351237

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride (CID 53347672) is 1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride is Cc1ccccc1C(=O)OC(C)CN1CCOCC1.[Cl-].
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride?
The InChIKey is GLTWYDXWZCAXHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21NO3.ClH/c1-12-5-3-4-6-14(12)15(17)19-13(2)11-16-7-9-18-10-8-16;/h3-6,13H,7-11H2,1-2H3;1H/p-1.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride?
1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride has a molecular weight of 298.79 g/mol, XLogP of -1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride is sourced from PubChem (CID 53347672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).