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MFCD09046178 molecular structure
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[2-(dimethylamino)ethyl][(3-methylphenyl)methyl]amine

ChemBase ID: 270310
Molecular Formular: C12H20N2
Molecular Mass: 192.3006
Monoisotopic Mass: 192.16264865
SMILES and InChIs

SMILES:
N(CCNCc1cc(ccc1)C)(C)C
Canonical SMILES:
CN(CCNCc1cccc(c1)C)C
InChI:
InChI=1S/C12H20N2/c1-11-5-4-6-12(9-11)10-13-7-8-14(2)3/h4-6,9,13H,7-8,10H2,1-3H3
InChIKey:
DOZIDNONBNTWCD-UHFFFAOYSA-N

Cite this record

CBID:270310 http://www.chembase.cn/molecule-270310.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(dimethylamino)ethyl][(3-methylphenyl)methyl]amine
IUPAC Traditional name
[2-(dimethylamino)ethyl][(3-methylphenyl)methyl]amine
Synonyms
[2-(dimethylamino)ethyl][(3-methylphenyl)methyl]amine
MDL Number
MFCD09046178
PubChem SID
164326220
PubChem CID
4041511

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69120 external link Add to cart Please log in.
Data Source Data ID
PubChem 4041511 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.189543  LogD (pH = 7.4) -0.03274382 
Log P 2.0636606  Molar Refractivity 62.3663 cm3
Polarizability 24.416151 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.389 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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