2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride

C14H20ClNO3 — CID 2928519

IUPAC2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride
SMILESCc1ccccc1C(=O)OCCN1CCOCC1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-12-4-2-3-5-13(12)14(16)18-11-8-15-6-9-17-10-7-15;/h2-5H,6-11H2,1H3;1H
InChIKeyGZNJVSRWIAIPKU-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.91
Rot. Bonds4

About 2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride

2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride (PubChem CID 2928519) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride
PubChem CID2928519
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride
SMILESCc1ccccc1C(=O)OCCN1CCOCC1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-12-4-2-3-5-13(12)14(16)18-11-8-15-6-9-17-10-7-15;/h2-5H,6-11H2,1H3;1H
InChIKeyGZNJVSRWIAIPKU-UHFFFAOYSA-N
XLogP1.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amylocaine
CID 10767
Meprylcaine
CID 4065
1-Propanol, 2-methyl-2-(propylamino)-, 1-benzoate, hydrochloride (1:1)
CID 101925
Amyleine hydrochloride
CID 10766
Piperocaine
CID 10782
Piperocaine Hydrochloride
CID 10781
Benzoylcholine chloride
CID 76298
2-Dimethylaminoethyl benzoate
CID 75158
Benzoic acid 1-isopropyl-2,5-dimethyl-piperidin-4-yl ester
CID 586831
3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2912528
4-Fluoro-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
CID 24746780
Benzoic acid 2-morpholin-4-yl-ethyl ester
CID 2836419

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride (CID 2928519) is 2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride is Cc1ccccc1C(=O)OCCN1CCOCC1.Cl.
What is the InChIKey of 2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride?
The InChIKey is GZNJVSRWIAIPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.ClH/c1-12-4-2-3-5-13(12)14(16)18-11-8-15-6-9-17-10-7-15;/h2-5H,6-11H2,1H3;1H.
What are the key properties of 2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride?
2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-methylbenzoate;hydrochloride is sourced from PubChem (CID 2928519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).