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878733-38-1 molecular structure
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1-ethyl-2-methyl-1H-indol-5-amine

ChemBase ID: 31188
Molecular Formular: C11H14N2
Molecular Mass: 174.24226
Monoisotopic Mass: 174.11569846
SMILES and InChIs

SMILES:
n1(c(cc2c1ccc(c2)N)C)CC
Canonical SMILES:
CCn1c(C)cc2c1ccc(c2)N
InChI:
InChI=1S/C11H14N2/c1-3-13-8(2)6-9-7-10(12)4-5-11(9)13/h4-7H,3,12H2,1-2H3
InChIKey:
BKQHBDHTFPNMRE-UHFFFAOYSA-N

Cite this record

CBID:31188 http://www.chembase.cn/molecule-31188.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-2-methyl-1H-indol-5-amine
IUPAC Traditional name
1-ethyl-2-methylindol-5-amine
Synonyms
1-Ethyl-2-methyl-1H-indol-5-ylamine
1-ethyl-2-methyl-1H-indol-5-amine
CAS Number
878733-38-1
MDL Number
MFCD07396652
PubChem SID
160994495
PubChem CID
6493743

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6493743 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 2.0230184  Log P 2.0231273 
Molar Refractivity 56.6399 cm3 Polarizability 22.112814 Å3
Polar Surface Area 30.95 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.0145624 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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