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356532-23-5 molecular structure
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[(4-chlorophenyl)methyl][2-(cyclohex-1-en-1-yl)ethyl]amine

ChemBase ID: 311653
Molecular Formular: C15H20ClN
Molecular Mass: 249.779
Monoisotopic Mass: 249.12842733
SMILES and InChIs

SMILES:
C1(=CCCCC1)CCNCc1ccc(Cl)cc1
Canonical SMILES:
Clc1ccc(cc1)CNCCC1=CCCCC1
InChI:
InChI=1S/C15H20ClN/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h4,6-9,17H,1-3,5,10-12H2
InChIKey:
FDVZEDBPEOPECS-UHFFFAOYSA-N

Cite this record

CBID:311653 http://www.chembase.cn/molecule-311653.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-chlorophenyl)methyl][2-(cyclohex-1-en-1-yl)ethyl]amine
IUPAC Traditional name
[(4-chlorophenyl)methyl][2-(cyclohex-1-en-1-yl)ethyl]amine
Synonyms
(4-chlorobenzyl)(2-cyclohex-1-en-1-ylethyl)amine
CAS Number
356532-23-5
MDL Number
MFCD03210855

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0129809  LogD (pH = 7.4) 1.9438136 
Log P 4.210958  Molar Refractivity 75.3838 cm3
Polarizability 29.337708 Å3 Polar Surface Area 12.03 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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