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63416-84-2 molecular structure
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5-(4-fluorophenyl)-2-methylpentan-2-amine

ChemBase ID: 180262
Molecular Formular: C12H18FN
Molecular Mass: 195.2764232
Monoisotopic Mass: 195.1423278
SMILES and InChIs

SMILES:
C(N)(CCCc1ccc(F)cc1)(C)C
Canonical SMILES:
CC(CCCc1ccc(cc1)F)(N)C
InChI:
InChI=1S/C12H18FN/c1-12(2,14)9-3-4-10-5-7-11(13)8-6-10/h5-8H,3-4,9,14H2,1-2H3
InChIKey:
HAMBUCYIFUMFAI-UHFFFAOYSA-N

Cite this record

CBID:180262 http://www.chembase.cn/molecule-180262.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-fluorophenyl)-2-methylpentan-2-amine
IUPAC Traditional name
5-(4-fluorophenyl)-2-methylpentan-2-amine
Synonyms
5-(4-fluorophenyl)-2-methylpentan-2-amine
CAS Number
63416-84-2
PubChem SID
164236172
PubChem CID
53406945

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Chemik
CHB85702 external link Add to cart Please log in.
Data Source Data ID
PubChem 53406945 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.0867315  LogD (pH = 7.4) 0.2832673 
Log P 3.1166663  Molar Refractivity 57.7618 cm3
Polarizability 22.477476 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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