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10389-73-8 molecular structure
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1-(2-chlorophenyl)-2-methylpropan-2-amine

ChemBase ID: 1314
Molecular Formular: C10H14ClN
Molecular Mass: 183.67786
Monoisotopic Mass: 183.08147713
SMILES and InChIs

SMILES:
Clc1c(CC(N)(C)C)cccc1
Canonical SMILES:
Clc1ccccc1CC(N)(C)C
InChI:
InChI=1S/C10H14ClN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3
InChIKey:
HXCXASJHZQXCKK-UHFFFAOYSA-N

Cite this record

CBID:1314 http://www.chembase.cn/molecule-1314.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-chlorophenyl)-2-methylpropan-2-amine
IUPAC Traditional name
clortermine
Synonyms
Clortermine
1-(2-CHLOROPHENYL)-2-METHYLPROPAN-2-AMINE
CAS Number
10389-73-8
PubChem SID
46505926
160964774
PubChem CID
25223

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
A&J Pharmtech
AJA-O40207 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) -0.3342247  LogD (pH = 7.4) 0.11074436 
Log P 2.6888719  Molar Refractivity 53.1482 cm3
Polarizability 21.008842 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 2.67  LOG S -3.25 
Solubility (Water) 1.04e-01 g/l 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB01527 external link
Item Information
Drug Groups illicit; experimental
External Links
Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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