Home > Compound List > Compound details
1015846-84-0 molecular structure
click picture or here to close

(3,4-dimethylphenyl)(pyridin-3-yl)methanamine

ChemBase ID: 308562
Molecular Formular: C14H16N2
Molecular Mass: 212.29024
Monoisotopic Mass: 212.13134852
SMILES and InChIs

SMILES:
c1(cc(c(cc1)C)C)C(c1cnccc1)N
Canonical SMILES:
NC(c1ccc(c(c1)C)C)c1cccnc1
InChI:
InChI=1S/C14H16N2/c1-10-5-6-12(8-11(10)2)14(15)13-4-3-7-16-9-13/h3-9,14H,15H2,1-2H3
InChIKey:
DINRZSVVJYLCDX-UHFFFAOYSA-N

Cite this record

CBID:308562 http://www.chembase.cn/molecule-308562.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3,4-dimethylphenyl)(pyridin-3-yl)methanamine
IUPAC Traditional name
(3,4-dimethylphenyl)(pyridin-3-yl)methanamine
Synonyms
1-(3,4-dimethylphenyl)-1-(3-pyridinyl)methanamine
CAS Number
1015846-84-0
MDL Number
MFCD09902268

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4031739 external link Add to cart
Data Source Data ID Price
ChemBridge
4031739 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) -0.15428993  LogD (pH = 7.4) 1.286394 
Log P 2.6924248  Molar Refractivity 66.7397 cm3
Polarizability 25.968023 Å3 Polar Surface Area 38.91 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