Home > Compound List > Compound details
412956-99-1 molecular structure
click picture or here to close

1-[3-(4-chlorophenyl)adamantan-1-yl]ethan-1-amine

ChemBase ID: 310362
Molecular Formular: C18H24ClN
Molecular Mass: 289.84286
Monoisotopic Mass: 289.15972745
SMILES and InChIs

SMILES:
C12(CC3(CC(C1)CC(C2)C3)C(N)C)c1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)C12CC3CC(C1)CC(C2)(C3)C(N)C
InChI:
InChI=1S/C18H24ClN/c1-12(20)17-7-13-6-14(8-17)10-18(9-13,11-17)15-2-4-16(19)5-3-15/h2-5,12-14H,6-11,20H2,1H3
InChIKey:
LVLNLBXCIHLMQX-UHFFFAOYSA-N

Cite this record

CBID:310362 http://www.chembase.cn/molecule-310362.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[3-(4-chlorophenyl)adamantan-1-yl]ethan-1-amine
IUPAC Traditional name
1-[3-(4-chlorophenyl)adamantan-1-yl]ethanamine
Synonyms
1-[3-(4-chlorophenyl)-1-adamantyl]ethanamine
CAS Number
412956-99-1
MDL Number
MFCD01825566

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4100092 external link Add to cart
Data Source Data ID Price
ChemBridge
4100092 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) 1.2323431  LogD (pH = 7.4) 1.6918085 
Log P 4.2549014  Molar Refractivity 83.897 cm3
Polarizability 33.558475 Å3 Polar Surface Area 26.02 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