[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone

C15H22N2O2 — CID 106774377

IUPAC[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESCNCCc1ccccc1C(=O)N1CCOC[C@H]1C
InChIInChI=1S/C15H22N2O2/c1-12-11-19-10-9-17(12)15(18)14-6-4-3-5-13(14)7-8-16-2/h3-6,12,16H,7-11H2,1-2H3/t12-/m1/s1
InChIKeyOMWALSRKJZHXRD-GFCCVEGCSA-N
MW262.35 g/mol
LogP1.31
Rot. Bonds4

About [2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone

[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 106774377) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID106774377
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESCNCCc1ccccc1C(=O)N1CCOC[C@H]1C
InChIInChI=1S/C15H22N2O2/c1-12-11-19-10-9-17(12)15(18)14-6-4-3-5-13(14)7-8-16-2/h3-6,12,16H,7-11H2,1-2H3/t12-/m1/s1
InChIKeyOMWALSRKJZHXRD-GFCCVEGCSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
CID 106773928
2-[(3S)-3-methylmorpholine-4-carbonyl]benzonitrile
CID 130179782
[2-(methylamino)-3-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 62168003
2-azabicyclo[2.2.1]heptan-2-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547762
N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide
CID 104547616
3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione
CID 104548056
(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 103752337
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
[2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone
CID 116613219
(4-cyclopropylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547617
3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid
CID 166772263
(2-hydrazinyl-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 62243394

Frequently Asked Questions

What is the IUPAC name of [2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of [2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone (CID 106774377) is [2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for [2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone is CNCCc1ccccc1C(=O)N1CCOC[C@H]1C.
What is the InChIKey of [2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is OMWALSRKJZHXRD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-11-19-10-9-17(12)15(18)14-6-4-3-5-13(14)7-8-16-2/h3-6,12,16H,7-11H2,1-2H3/t12-/m1/s1.
What are the key properties of [2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 106774377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).