Home > Compound List > Compound details
418790-18-8 molecular structure
click picture or here to close

N-[(3-methoxyphenyl)methyl]cycloheptanamine

ChemBase ID: 311071
Molecular Formular: C15H23NO
Molecular Mass: 233.34922
Monoisotopic Mass: 233.17796436
SMILES and InChIs

SMILES:
N(Cc1cc(OC)ccc1)C1CCCCCC1
Canonical SMILES:
COc1cccc(c1)CNC1CCCCCC1
InChI:
InChI=1S/C15H23NO/c1-17-15-10-6-7-13(11-15)12-16-14-8-4-2-3-5-9-14/h6-7,10-11,14,16H,2-5,8-9,12H2,1H3
InChIKey:
HPNXXRIVYAOFFC-UHFFFAOYSA-N

Cite this record

CBID:311071 http://www.chembase.cn/molecule-311071.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(3-methoxyphenyl)methyl]cycloheptanamine
IUPAC Traditional name
N-[(3-methoxyphenyl)methyl]cycloheptanamine
Synonyms
N-(3-methoxybenzyl)cycloheptanamine
CAS Number
418790-18-8
MDL Number
MFCD01817796

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5571690 external link Add to cart
Data Source Data ID Price
ChemBridge
5571690 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) 0.39709225  LogD (pH = 7.4) 1.0741628 
Log P 3.6177626  Molar Refractivity 71.3844 cm3
Polarizability 28.404982 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