2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine

C15H22FNO2 — CID 107171230

IUPAC2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
SMILESCc1ccc(OCC2CN(C(C)C)CCO2)cc1F
InChIInChI=1S/C15H22FNO2/c1-11(2)17-6-7-18-14(9-17)10-19-13-5-4-12(3)15(16)8-13/h4-5,8,11,14H,6-7,9-10H2,1-3H3
InChIKeyIVIQSGPWJLOHLL-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.62
Rot. Bonds4

About 2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine

2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine (PubChem CID 107171230) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
PubChem CID107171230
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
SMILESCc1ccc(OCC2CN(C(C)C)CCO2)cc1F
InChIInChI=1S/C15H22FNO2/c1-11(2)17-6-7-18-14(9-17)10-19-13-5-4-12(3)15(16)8-13/h4-5,8,11,14H,6-7,9-10H2,1-3H3
InChIKeyIVIQSGPWJLOHLL-UHFFFAOYSA-N
XLogP2.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716334
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
1-[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 64535499
[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
CID 64533934
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine
CID 107396660
2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 116794099
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 64532520
4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107014520
1-[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716380
[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535556
(1R)-1-[4-[(4-ethylmorpholin-2-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107718195

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine (CID 107171230) is 2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine is Cc1ccc(OCC2CN(C(C)C)CCO2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine?
The InChIKey is IVIQSGPWJLOHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(2)17-6-7-18-14(9-17)10-19-13-5-4-12(3)15(16)8-13/h4-5,8,11,14H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine?
2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine has a molecular weight of 267.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 107171230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).