Home > Compound List > Compound details
355382-11-5 molecular structure
click picture or here to close

[(2-methoxyphenyl)methyl](pentan-3-yl)amine

ChemBase ID: 311042
Molecular Formular: C13H21NO
Molecular Mass: 207.31194
Monoisotopic Mass: 207.1623143
SMILES and InChIs

SMILES:
c1(CNC(CC)CC)c(OC)cccc1
Canonical SMILES:
CCC(NCc1ccccc1OC)CC
InChI:
InChI=1S/C13H21NO/c1-4-12(5-2)14-10-11-8-6-7-9-13(11)15-3/h6-9,12,14H,4-5,10H2,1-3H3
InChIKey:
MNHYMJKHEOBWAB-UHFFFAOYSA-N

Cite this record

CBID:311042 http://www.chembase.cn/molecule-311042.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-methoxyphenyl)methyl](pentan-3-yl)amine
IUPAC Traditional name
[(2-methoxyphenyl)methyl](pentan-3-yl)amine
Synonyms
(1-ethylpropyl)(2-methoxybenzyl)amine
CAS Number
355382-11-5
MDL Number
MFCD01135442

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5566942 external link Add to cart
Data Source Data ID Price
ChemBridge
5566942 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) 0.01435503  LogD (pH = 7.4) 1.0815653 
Log P 3.192351  Molar Refractivity 63.9846 cm3
Polarizability 25.452288 Å3 Polar Surface Area 21.26 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