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105310-47-2 molecular structure
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2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide hydrochloride

ChemBase ID: 797926
Molecular Formular: C15H23ClN2O
Molecular Mass: 282.80892
Monoisotopic Mass: 282.14989105
SMILES and InChIs

SMILES:
Cl.C1(C(C1)CN)(C(=O)N(CC)CC)c1ccccc1
Canonical SMILES:
NCC1CC1(c1ccccc1)C(=O)N(CC)CC.Cl
InChI:
InChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H
InChIKey:
XNCDYJFPRPDERF-UHFFFAOYSA-N

Cite this record

CBID:797926 http://www.chembase.cn/molecule-797926.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide hydrochloride
IUPAC Traditional name
levomilnacipran hydrochloride
Synonyms
2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide hydrochloride
CAS Number
105310-47-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10040 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10040 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) -1.5899252  LogD (pH = 7.4) -0.91125065 
Log P 1.4217067  Molar Refractivity 73.8095 cm3
Polarizability 28.916954 Å3 Polar Surface Area 46.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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