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60662-16-0 molecular structure
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N-[2-(dimethylamino)ethyl]-N-methyl-3-phenyl-1H-indol-1-amine

ChemBase ID: 126158
Molecular Formular: C19H23N3
Molecular Mass: 293.40602
Monoisotopic Mass: 293.18919775
SMILES and InChIs

SMILES:
c1cccc2c1c(cn2N(CCN(C)C)C)c1ccccc1
Canonical SMILES:
CN(CCN(n1cc(c2c1cccc2)c1ccccc1)C)C
InChI:
InChI=1S/C19H23N3/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22/h4-12,15H,13-14H2,1-3H3
InChIKey:
SXYFFMXPDDGOEK-UHFFFAOYSA-N

Cite this record

CBID:126158 http://www.chembase.cn/molecule-126158.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(dimethylamino)ethyl]-N-methyl-3-phenyl-1H-indol-1-amine
IUPAC Traditional name
binedaline
Synonyms
Binedaline
CAS Number
60662-16-0
PubChem SID
162220499
PubChem CID
42510
42509
Chemspider ID
38769
Unique Ingredient Identifier
3AVG9P140R
Wikipedia Title
Binedaline

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.25815293  LogD (pH = 7.4) 1.3395923 
Log P 2.9380488  Molar Refractivity 94.8039 cm3
Polarizability 38.582863 Å3 Polar Surface Area 11.41 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Bioassay(PubChem)
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Legal Status
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DETAILS

DETAILS

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REFERENCES

REFERENCES

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PATENTS

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