Home > Compound List > Compound details
113248-68-3 molecular structure
click picture or here to close

[2-(4-chlorophenyl)ethyl](pyridin-3-ylmethyl)amine

ChemBase ID: 310832
Molecular Formular: C14H15ClN2
Molecular Mass: 246.7353
Monoisotopic Mass: 246.09237617
SMILES and InChIs

SMILES:
n1cc(CNCCc2ccc(Cl)cc2)ccc1
Canonical SMILES:
Clc1ccc(cc1)CCNCc1cccnc1
InChI:
InChI=1S/C14H15ClN2/c15-14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13/h1-6,8,10,17H,7,9,11H2
InChIKey:
KZJZOFGDJZVABM-UHFFFAOYSA-N

Cite this record

CBID:310832 http://www.chembase.cn/molecule-310832.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(4-chlorophenyl)ethyl](pyridin-3-ylmethyl)amine
IUPAC Traditional name
[2-(4-chlorophenyl)ethyl](pyridin-3-ylmethyl)amine
Synonyms
2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)ethanamine
CAS Number
113248-68-3
MDL Number
MFCD01135792

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5524817 external link Add to cart
Data Source Data ID Price
ChemBridge
5524817 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) -0.22710843  LogD (pH = 7.4) 0.9473602 
Log P 2.9311013  Molar Refractivity 71.3215 cm3
Polarizability 27.859194 Å3 Polar Surface Area 24.92 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