(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate

C13H17ClN2O3 — CID 79182901

IUPAC(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate
SMILESCN1CCOC(COC(=O)c2cc(N)ccc2Cl)C1
InChIInChI=1S/C13H17ClN2O3/c1-16-4-5-18-10(7-16)8-19-13(17)11-6-9(15)2-3-12(11)14/h2-3,6,10H,4-5,7-8,15H2,1H3
InChIKeyBAOATMIIZUVNDN-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.41
Rot. Bonds3

About (4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate

(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate (PubChem CID 79182901) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate
PubChem CID79182901
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate
SMILESCN1CCOC(COC(=O)c2cc(N)ccc2Cl)C1
InChIInChI=1S/C13H17ClN2O3/c1-16-4-5-18-10(7-16)8-19-13(17)11-6-9(15)2-3-12(11)14/h2-3,6,10H,4-5,7-8,15H2,1H3
InChIKeyBAOATMIIZUVNDN-UHFFFAOYSA-N
XLogP1.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.41
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
(4-methylmorpholin-2-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 167944826
(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate
CID 79182993
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate
CID 106955980
(4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 79182560
(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate
CID 79182728
4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline
CID 81201070
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate
CID 79071225
(4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate
CID 106592454
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
CID 79171911

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate?
The IUPAC name of (4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate (CID 79182901) is (4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate.
What is the SMILES notation for (4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate?
The canonical SMILES for (4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate is CN1CCOC(COC(=O)c2cc(N)ccc2Cl)C1.
What is the InChIKey of (4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate?
The InChIKey is BAOATMIIZUVNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-16-4-5-18-10(7-16)8-19-13(17)11-6-9(15)2-3-12(11)14/h2-3,6,10H,4-5,7-8,15H2,1H3.
What are the key properties of (4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate?
(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate has a molecular weight of 284.74 g/mol, XLogP of 1.41, 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 5-amino-2-chlorobenzoate is sourced from PubChem (CID 79182901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).