Home > Compound List > Compound details
37155-15-0 molecular structure
click picture or here to close

1-(4-bromophenyl)-3-[(4-methylphenyl)amino]propan-1-one

ChemBase ID: 311287
Molecular Formular: C16H16BrNO
Molecular Mass: 318.20834
Monoisotopic Mass: 317.04152614
SMILES and InChIs

SMILES:
C(=O)(c1ccc(cc1)Br)CCNc1ccc(cc1)C
Canonical SMILES:
Cc1ccc(cc1)NCCC(=O)c1ccc(cc1)Br
InChI:
InChI=1S/C16H16BrNO/c1-12-2-8-15(9-3-12)18-11-10-16(19)13-4-6-14(17)7-5-13/h2-9,18H,10-11H2,1H3
InChIKey:
XXUXHPXKERVBDA-UHFFFAOYSA-N

Cite this record

CBID:311287 http://www.chembase.cn/molecule-311287.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-bromophenyl)-3-[(4-methylphenyl)amino]propan-1-one
IUPAC Traditional name
1-(4-bromophenyl)-3-[(4-methylphenyl)amino]propan-1-one
Synonyms
1-(4-bromophenyl)-3-[(4-methylphenyl)amino]propan-1-one
CAS Number
37155-15-0
MDL Number
MFCD01220247

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5924424 external link Add to cart
Data Source Data ID Price
ChemBridge
5924424 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) 4.0136  LogD (pH = 7.4) 4.194557 
Log P 4.197433  Molar Refractivity 83.5169 cm3
Polarizability 31.091122 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle