Home > Compound List > Compound details
889949-99-9 molecular structure
click picture or here to close

ethyl({[4-(propan-2-yl)phenyl]methyl})amine

ChemBase ID: 312302
Molecular Formular: C12H19N
Molecular Mass: 177.28596
Monoisotopic Mass: 177.15174961
SMILES and InChIs

SMILES:
c1(ccc(cc1)CNCC)C(C)C
Canonical SMILES:
CCNCc1ccc(cc1)C(C)C
InChI:
InChI=1S/C12H19N/c1-4-13-9-11-5-7-12(8-6-11)10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKey:
IMAULWNZPIFDCG-UHFFFAOYSA-N

Cite this record

CBID:312302 http://www.chembase.cn/molecule-312302.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl({[4-(propan-2-yl)phenyl]methyl})amine
IUPAC Traditional name
ethyl[(4-isopropylphenyl)methyl]amine
Synonyms
N-(4-isopropylbenzyl)ethanamine
CAS Number
889949-99-9
MDL Number
MFCD07411183

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 9070625 external link Add to cart
Data Source Data ID Price
ChemBridge
9070625 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) -0.072783604  LogD (pH = 7.4) 0.7837182 
Log P 3.1334116  Molar Refractivity 58.2454 cm3
Polarizability 22.9006 Å3 Polar Surface Area 12.03 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