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50617-62-4 molecular structure
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4-(3-tert-butyl-1,3-oxazolidin-5-yl)-2,6-dimethylaniline

ChemBase ID: 813346
Molecular Formular: C15H24N2O
Molecular Mass: 248.36386
Monoisotopic Mass: 248.1888634
SMILES and InChIs

SMILES:
Nc1c(cc(cc1C)C1OCN(C1)C(C)(C)C)C
Canonical SMILES:
CC(N1COC(C1)c1cc(C)c(c(c1)C)N)(C)C
InChI:
InChI=1S/C15H24N2O/c1-10-6-12(7-11(2)14(10)16)13-8-17(9-18-13)15(3,4)5/h6-7,13H,8-9,16H2,1-5H3
InChIKey:
FJMSXUDQWAEDET-UHFFFAOYSA-N

Cite this record

CBID:813346 http://www.chembase.cn/molecule-813346.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-tert-butyl-1,3-oxazolidin-5-yl)-2,6-dimethylaniline
IUPAC Traditional name
4-(3-tert-butyl-1,3-oxazolidin-5-yl)-2,6-dimethylaniline
Synonyms
4-(3-TERT-BUTYL-OXAZOLIDIN-5-YL)-2,6-DIMETHYL-PHENYLAMINE
CAS Number
50617-62-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34748 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34748 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2241118  LogD (pH = 7.4) 3.0828774 
Log P 3.1178865  Molar Refractivity 76.7433 cm3
Polarizability 29.384964 Å3 Polar Surface Area 38.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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