(4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate

C16H24N2O3 — CID 64532957

IUPAC(4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate
SMILESCC(C)N1CCOC(COC(=O)Cc2ccccc2N)C1
InChIInChI=1S/C16H24N2O3/c1-12(2)18-7-8-20-14(10-18)11-21-16(19)9-13-5-3-4-6-15(13)17/h3-6,12,14H,7-11,17H2,1-2H3
InChIKeyGMHNIMPWKWLNHO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.46
Rot. Bonds5

About (4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate

(4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate (PubChem CID 64532957) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Name(4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate
PubChem CID64532957
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate
SMILESCC(C)N1CCOC(COC(=O)Cc2ccccc2N)C1
InChIInChI=1S/C16H24N2O3/c1-12(2)18-7-8-20-14(10-18)11-21-16(19)9-13-5-3-4-6-15(13)17/h3-6,12,14H,7-11,17H2,1-2H3
InChIKeyGMHNIMPWKWLNHO-UHFFFAOYSA-N
XLogP1.46
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate?
The IUPAC name of (4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate (CID 64532957) is (4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate.
What is the SMILES notation for (4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate?
The canonical SMILES for (4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate is CC(C)N1CCOC(COC(=O)Cc2ccccc2N)C1.
What is the InChIKey of (4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate?
The InChIKey is GMHNIMPWKWLNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)18-7-8-20-14(10-18)11-21-16(19)9-13-5-3-4-6-15(13)17/h3-6,12,14H,7-11,17H2,1-2H3.
What are the key properties of (4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate?
(4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate has a molecular weight of 292.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate is sourced from PubChem (CID 64532957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).