(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate

C14H20N2O3 — CID 79182728

IUPAC(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate
SMILESCc1cc(C(=O)OCC2CN(C)CCO2)ccc1N
InChIInChI=1S/C14H20N2O3/c1-10-7-11(3-4-13(10)15)14(17)19-9-12-8-16(2)5-6-18-12/h3-4,7,12H,5-6,8-9,15H2,1-2H3
InChIKeyPQUBZEMDWBGUIB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.06
Rot. Bonds3

About (4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate

(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate (PubChem CID 79182728) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate
PubChem CID79182728
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate
SMILESCc1cc(C(=O)OCC2CN(C)CCO2)ccc1N
InChIInChI=1S/C14H20N2O3/c1-10-7-11(3-4-13(10)15)14(17)19-9-12-8-16(2)5-6-18-12/h3-4,7,12H,5-6,8-9,15H2,1-2H3
InChIKeyPQUBZEMDWBGUIB-UHFFFAOYSA-N
XLogP1.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-methylmorpholin-2-yl)methyl 4-amino-2-methylbenzoate
CID 79182043
ethyl 3-amino-4-[(4-methylmorpholin-2-yl)methylamino]benzoate
CID 79072138
(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate
CID 79182901
(4-ethylmorpholin-2-yl)methyl 3-amino-4-bromobenzoate
CID 79182900
(4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 79182560
(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate
CID 79182993
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857
(4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate
CID 106592454
2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide
CID 79071800
(4-methylmorpholin-2-yl)methyl 2-(2-aminophenoxy)acetate
CID 79183171
(4-methylmorpholin-2-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 167944826

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate?
The IUPAC name of (4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate (CID 79182728) is (4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate.
What is the SMILES notation for (4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate?
The canonical SMILES for (4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate is Cc1cc(C(=O)OCC2CN(C)CCO2)ccc1N.
What is the InChIKey of (4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate?
The InChIKey is PQUBZEMDWBGUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-11(3-4-13(10)15)14(17)19-9-12-8-16(2)5-6-18-12/h3-4,7,12H,5-6,8-9,15H2,1-2H3.
What are the key properties of (4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate?
(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate has a molecular weight of 264.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate is sourced from PubChem (CID 79182728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).