(2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one

C14H19NO2 — CID 93028090

IUPAC(2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(=O)[C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO2/c1-11-3-5-13(6-4-11)14(16)12(2)15-7-9-17-10-8-15/h3-6,12H,7-10H2,1-2H3/t12-/m0/s1
InChIKeyDEXVMRKWNCHKBZ-LBPRGKRZSA-N
MW233.31 g/mol
LogP1.90
Rot. Bonds3

About (2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one

(2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one (PubChem CID 93028090) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one
PubChem CID93028090
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(=O)[C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO2/c1-11-3-5-13(6-4-11)14(16)12(2)15-7-9-17-10-8-15/h3-6,12H,7-10H2,1-2H3/t12-/m0/s1
InChIKeyDEXVMRKWNCHKBZ-LBPRGKRZSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one (CID 93028090) is (2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one is Cc1ccc(C(=O)[C@H](C)N2CCOCC2)cc1.
What is the InChIKey of (2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is DEXVMRKWNCHKBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-3-5-13(6-4-11)14(16)12(2)15-7-9-17-10-8-15/h3-6,12H,7-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one?
(2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylphenyl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 93028090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).