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

C17H25ClN2O3 — CID 103554529

IUPACtert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O3/c1-17(2,3)23-16(21)20-8-9-22-11-15(20)14(19)10-12-4-6-13(18)7-5-12/h4-7,14-15H,8-11,19H2,1-3H3
InChIKeyDEKDGJHEAMCBCL-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.85
Rot. Bonds3

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

tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate (PubChem CID 103554529) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate
PubChem CID103554529
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Nametert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O3/c1-17(2,3)23-16(21)20-8-9-22-11-15(20)14(19)10-12-4-6-13(18)7-5-12/h4-7,14-15H,8-11,19H2,1-3H3
InChIKeyDEKDGJHEAMCBCL-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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Related Compounds

tert-butyl 3-[1-amino-2-(4-methylphenyl)ethyl]morpholine-4-carboxylate
CID 103554425
tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate
CID 103554383
(2S)-2-(4-chlorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
CID 66845289
tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate
CID 103554376
tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate
CID 103554420
tert-butyl 3-[(3,4-difluorophenyl)-hydroxymethyl]morpholine-4-carboxylate
CID 103554175
tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate
CID 103554531
tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate
CID 178201481
tert-butyl 3-[(3-fluoro-4-methylphenyl)-hydroxymethyl]morpholine-4-carboxylate
CID 107128657
tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate
CID 58067181
tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate
CID 103554111
tert-butyl (2S)-2-amino-3-(4-chlorophenyl)propanoate
CID 54165475

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate (CID 103554529) is tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(N)Cc1ccc(Cl)cc1.
What is the InChIKey of tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate?
The InChIKey is DEKDGJHEAMCBCL-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)10-12-4-6-13(18)7-5-12/h4-7,14-15H,8-11,19H2,1-3H3.
What are the key properties of tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate?
tert-butyl 3-[1-amino-2-(4-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-(4-chlorophenyl)ethyl]morpholine-4-carboxylate is sourced from PubChem (CID 103554529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).