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65882-39-5 molecular structure
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dimethyl[2-(7-methyl-1H-indol-3-yl)ethyl]amine

ChemBase ID: 125526
Molecular Formular: C13H18N2
Molecular Mass: 202.29542
Monoisotopic Mass: 202.14699859
SMILES and InChIs

SMILES:
Cc1c2[nH]cc(CCN(C)C)c2ccc1
Canonical SMILES:
CN(CCc1c[nH]c2c1cccc2C)C
InChI:
InChI=1S/C13H18N2/c1-10-5-4-6-12-11(7-8-15(2)3)9-14-13(10)12/h4-6,9,14H,7-8H2,1-3H3
InChIKey:
PQSFTUCFMWBITK-UHFFFAOYSA-N

Cite this record

CBID:125526 http://www.chembase.cn/molecule-125526.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl[2-(7-methyl-1H-indol-3-yl)ethyl]amine
IUPAC Traditional name
7,N,N-tmt
Synonyms
7,N,N-TMT
CAS Number
65882-39-5
PubChem SID
162219876
PubChem CID
47747
CHEMBL
20167
Chemspider ID
43445
Wikipedia Title
7,N,N-TMT

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.485888  H Acceptors
H Donor LogD (pH = 5.5) -0.5862804 
LogD (pH = 7.4) 0.6435177  Log P 2.8154871 
Molar Refractivity 65.4834 cm3 Polarizability 26.228773 Å3
Polar Surface Area 19.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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