Home > Compound List > Compound details
108157-27-3 molecular structure
click picture or here to close

N-[(2-methylphenyl)methyl]cyclopentanamine

ChemBase ID: 307890
Molecular Formular: C13H19N
Molecular Mass: 189.29666
Monoisotopic Mass: 189.15174961
SMILES and InChIs

SMILES:
N(Cc1c(C)cccc1)C1CCCC1
Canonical SMILES:
Cc1ccccc1CNC1CCCC1
InChI:
InChI=1S/C13H19N/c1-11-6-2-3-7-12(11)10-14-13-8-4-5-9-13/h2-3,6-7,13-14H,4-5,8-10H2,1H3
InChIKey:
DQNQCGNZLHEJQR-UHFFFAOYSA-N

Cite this record

CBID:307890 http://www.chembase.cn/molecule-307890.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2-methylphenyl)methyl]cyclopentanamine
IUPAC Traditional name
N-[(2-methylphenyl)methyl]cyclopentanamine
Synonyms
N-(2-methylbenzyl)cyclopentanamine
CAS Number
108157-27-3
MDL Number
MFCD07407531

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4024872 external link Add to cart
Data Source Data ID Price
ChemBridge
4024872 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) 0.17650244  LogD (pH = 7.4) 0.8117017 
Log P 3.3997178  Molar Refractivity 60.7604 cm3
Polarizability 24.003601 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