tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate

C17H25ClN2O3 — CID 103554383

IUPACtert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)Cc1ccccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-17(2,3)23-16(21)20-8-9-22-11-15(20)14(19)10-12-6-4-5-7-13(12)18/h4-7,14-15H,8-11,19H2,1-3H3
InChIKeyFJFYGYAIKJJAQW-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.85
Rot. Bonds3

About tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate

tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate (PubChem CID 103554383) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate
PubChem CID103554383
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Nametert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)Cc1ccccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-17(2,3)23-16(21)20-8-9-22-11-15(20)14(19)10-12-6-4-5-7-13(12)18/h4-7,14-15H,8-11,19H2,1-3H3
InChIKeyFJFYGYAIKJJAQW-UHFFFAOYSA-N
XLogP2.85
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate (CID 103554383) is tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(N)Cc1ccccc1Cl.
What is the InChIKey of tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate?
The InChIKey is FJFYGYAIKJJAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-17(2,3)23-16(21)20-8-9-22-11-15(20)14(19)10-12-6-4-5-7-13(12)18/h4-7,14-15H,8-11,19H2,1-3H3.
What are the key properties of tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate?
tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate has a molecular weight of 340.85 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate is sourced from PubChem (CID 103554383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).