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1027161-33-6 molecular structure
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{2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]ethyl}[(2-methoxyphenyl)methyl]amine

ChemBase ID: 125331
Molecular Formular: C19H22F3NO3
Molecular Mass: 369.3780896
Monoisotopic Mass: 369.15517823
SMILES and InChIs

SMILES:
FC(F)(F)c1c(OC)cc(c(OC)c1)CCNCc1ccccc1OC
Canonical SMILES:
COc1cc(c(cc1CCNCc1ccccc1OC)OC)C(F)(F)F
InChI:
InChI=1S/C19H22F3NO3/c1-24-16-7-5-4-6-14(16)12-23-9-8-13-10-18(26-3)15(19(20,21)22)11-17(13)25-2/h4-7,10-11,23H,8-9,12H2,1-3H3
InChIKey:
FBHVTQIAHOTPAM-UHFFFAOYSA-N

Cite this record

CBID:125331 http://www.chembase.cn/molecule-125331.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]ethyl}[(2-methoxyphenyl)methyl]amine
IUPAC Traditional name
2C-tfm-nbome
Synonyms
2C-TFM-NBOMe
CAS Number
1027161-33-6
PubChem SID
162219681
PubChem CID
10067667
Chemspider ID
8243207
Wikipedia Title
2C-TFM-NBOMe

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.87324697  LogD (pH = 7.4) 2.2774532 
Log P 3.9495637  Molar Refractivity 94.0369 cm3
Polarizability 35.46828 Å3 Polar Surface Area 39.72 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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