2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine

C16H25NO2 — CID 103432287

IUPAC2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
SMILESCc1cccc(OCC2CN(C(C)C)CCO2)c1C
InChIInChI=1S/C16H25NO2/c1-12(2)17-8-9-18-15(10-17)11-19-16-7-5-6-13(3)14(16)4/h5-7,12,15H,8-11H2,1-4H3
InChIKeyLIRHKCVFBMFRIH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.79
Rot. Bonds4

About 2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine

2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine (PubChem CID 103432287) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
PubChem CID103432287
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
SMILESCc1cccc(OCC2CN(C(C)C)CCO2)c1C
InChIInChI=1S/C16H25NO2/c1-12(2)17-8-9-18-15(10-17)11-19-16-7-5-6-13(3)14(16)4/h5-7,12,15H,8-11H2,1-4H3
InChIKeyLIRHKCVFBMFRIH-UHFFFAOYSA-N
XLogP2.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487
2-[(3-methyl-1H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 12800264
2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 12800263
2-(3H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine
CID 12917370
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
CID 115955541
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
N-[1-[2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 77043440
3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545
[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535556
(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 78996510
[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535557
[6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 79162914

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine (CID 103432287) is 2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine is Cc1cccc(OCC2CN(C(C)C)CCO2)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine?
The InChIKey is LIRHKCVFBMFRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)17-8-9-18-15(10-17)11-19-16-7-5-6-13(3)14(16)4/h5-7,12,15H,8-11H2,1-4H3.
What are the key properties of 2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine?
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine has a molecular weight of 263.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 103432287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).