2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine

C21H27NO2 — CID 19424036

IUPAC2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine
SMILESc1ccc(CCCCc2ccccc2OCC2CNCCO2)cc1
InChIInChI=1S/C21H27NO2/c1-2-8-18(9-3-1)10-4-5-11-19-12-6-7-13-21(19)24-17-20-16-22-14-15-23-20/h1-3,6-9,12-13,20,22H,4-5,10-11,14-17H2
InChIKeyWDCXMYUHKHSBSG-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.62
Rot. Bonds8

About 2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine

2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine (PubChem CID 19424036) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine.

Molecular Properties

Compound Name2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine
PubChem CID19424036
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine
SMILESc1ccc(CCCCc2ccccc2OCC2CNCCO2)cc1
InChIInChI=1S/C21H27NO2/c1-2-8-18(9-3-1)10-4-5-11-19-12-6-7-13-21(19)24-17-20-16-22-14-15-23-20/h1-3,6-9,12-13,20,22H,4-5,10-11,14-17H2
InChIKeyWDCXMYUHKHSBSG-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
2-[(2-pyridin-2-yloxyphenoxy)methyl]morpholine
CID 12919862
(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine
CID 71752946
(2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride
CID 71752943
2-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 175701608
N-[3-(2-ethoxyphenyl)propyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 99932617
N-[3-(2-ethoxyphenyl)propyl]-2-morpholin-2-ylacetamide
CID 77086074
2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine
CID 114468909

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine?
The IUPAC name of 2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine (CID 19424036) is 2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine.
What is the SMILES notation for 2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine?
The canonical SMILES for 2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine is c1ccc(CCCCc2ccccc2OCC2CNCCO2)cc1.
What is the InChIKey of 2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine?
The InChIKey is WDCXMYUHKHSBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-2-8-18(9-3-1)10-4-5-11-19-12-6-7-13-21(19)24-17-20-16-22-14-15-23-20/h1-3,6-9,12-13,20,22H,4-5,10-11,14-17H2.
What are the key properties of 2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine?
2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine has a molecular weight of 325.45 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine is sourced from PubChem (CID 19424036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).