(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone

C13H17NO3 — CID 51710348

IUPAC(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESCOc1cccc(C(=O)N2CCO[C@@H](C)C2)c1
InChIInChI=1S/C13H17NO3/c1-10-9-14(6-7-17-10)13(15)11-4-3-5-12(8-11)16-2/h3-5,8,10H,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyDIOUDTREBRAPBG-JTQLQIEISA-N
MW235.28 g/mol
LogP1.56
Rot. Bonds2

About (3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone

(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone (PubChem CID 51710348) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
PubChem CID51710348
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESCOc1cccc(C(=O)N2CCO[C@@H](C)C2)c1
InChIInChI=1S/C13H17NO3/c1-10-9-14(6-7-17-10)13(15)11-4-3-5-12(8-11)16-2/h3-5,8,10H,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyDIOUDTREBRAPBG-JTQLQIEISA-N
XLogP1.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone
CID 162818233
(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647327
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
CID 133137687
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone (CID 51710348) is (3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone is COc1cccc(C(=O)N2CCO[C@@H](C)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The InChIKey is DIOUDTREBRAPBG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-9-14(6-7-17-10)13(15)11-4-3-5-12(8-11)16-2/h3-5,8,10H,6-7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone has a molecular weight of 235.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 51710348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).