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863204-01-7 molecular structure
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methyl[2-(morpholin-4-yl)-1-phenylethyl]amine

ChemBase ID: 30653
Molecular Formular: C13H20N2O
Molecular Mass: 220.3107
Monoisotopic Mass: 220.15756327
SMILES and InChIs

SMILES:
N1(CC(c2ccccc2)NC)CCOCC1
Canonical SMILES:
CNC(c1ccccc1)CN1CCOCC1
InChI:
InChI=1S/C13H20N2O/c1-14-13(12-5-3-2-4-6-12)11-15-7-9-16-10-8-15/h2-6,13-14H,7-11H2,1H3
InChIKey:
FMZRRIHWLOAPQX-UHFFFAOYSA-N

Cite this record

CBID:30653 http://www.chembase.cn/molecule-30653.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[2-(morpholin-4-yl)-1-phenylethyl]amine
IUPAC Traditional name
methyl[2-(morpholin-4-yl)-1-phenylethyl]amine
Synonyms
[2-(Morpholin-4-yl)-1-phenylethyl]methylamine
Methyl-(2-morpholin-4-yl-1-phenyl-ethyl)-amine
CAS Number
863204-01-7
MDL Number
MFCD01862533
PubChem SID
160993960
PubChem CID
5153032

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5153032 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8066143  LogD (pH = 7.4) -0.555785 
Log P 1.3915058  Molar Refractivity 66.0698 cm3
Polarizability 26.25096 Å3 Polar Surface Area 24.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Corrosive expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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