2-[(3-chlorophenoxy)methyl]-4-methylmorpholine

C12H16ClNO2 — CID 71048945

IUPAC2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
SMILESCN1CCOC(COc2cccc(Cl)c2)C1
InChIInChI=1S/C12H16ClNO2/c1-14-5-6-15-12(8-14)9-16-11-4-2-3-10(13)7-11/h2-4,7,12H,5-6,8-9H2,1H3
InChIKeyQAXNDDSFZRFWEI-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds3

About 2-[(3-chlorophenoxy)methyl]-4-methylmorpholine

2-[(3-chlorophenoxy)methyl]-4-methylmorpholine (PubChem CID 71048945) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
PubChem CID71048945
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
SMILESCN1CCOC(COc2cccc(Cl)c2)C1
InChIInChI=1S/C12H16ClNO2/c1-14-5-6-15-12(8-14)9-16-11-4-2-3-10(13)7-11/h2-4,7,12H,5-6,8-9H2,1H3
InChIKeyQAXNDDSFZRFWEI-UHFFFAOYSA-N
XLogP2.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine
CID 123453200
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
N-methyl-1-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171290
N-[1-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79172241
(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine
CID 58005244
4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol
CID 79183075
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
2-chloro-4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 102724337
1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
CID 79171911
[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 79182948
1-[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716380
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-4-methylmorpholine?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-4-methylmorpholine (CID 71048945) is 2-[(3-chlorophenoxy)methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-4-methylmorpholine?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-4-methylmorpholine is CN1CCOC(COc2cccc(Cl)c2)C1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-4-methylmorpholine?
The InChIKey is QAXNDDSFZRFWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-14-5-6-15-12(8-14)9-16-11-4-2-3-10(13)7-11/h2-4,7,12H,5-6,8-9H2,1H3.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-4-methylmorpholine?
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine has a molecular weight of 241.72 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-4-methylmorpholine is sourced from PubChem (CID 71048945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).