(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one

C14H19ClN2O2 — CID 154740422

IUPAC(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)[C@H](C)N
InChIInChI=1S/C14H19ClN2O2/c1-9-8-19-13(7-17(9)14(18)10(2)16)11-5-3-4-6-12(11)15/h3-6,9-10,13H,7-8,16H2,1-2H3/t9?,10-,13?/m0/s1
InChIKeyXPRIDRFWKZHZEQ-QUNCOHTASA-N
MW282.77 g/mol
LogP1.98
Rot. Bonds2

About (2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one

(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one (PubChem CID 154740422) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
PubChem CID154740422
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)[C@H](C)N
InChIInChI=1S/C14H19ClN2O2/c1-9-8-19-13(7-17(9)14(18)10(2)16)11-5-3-4-6-12(11)15/h3-6,9-10,13H,7-8,16H2,1-2H3/t9?,10-,13?/m0/s1
InChIKeyXPRIDRFWKZHZEQ-QUNCOHTASA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one (CID 154740422) is (2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one is CC1COC(c2ccccc2Cl)CN1C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one?
The InChIKey is XPRIDRFWKZHZEQ-QUNCOHTASA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-8-19-13(7-17(9)14(18)10(2)16)11-5-3-4-6-12(11)15/h3-6,9-10,13H,7-8,16H2,1-2H3/t9?,10-,13?/m0/s1.
What are the key properties of (2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one?
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one has a molecular weight of 282.77 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 154740422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).