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N-Methyl-5-methoxytryptamine

CAT: 0572-TRC-M263955-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M263955-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2009-03-2
Synonyms
5-methoxy-N-methyl Tryptamine; 5-methoxy-N-methyl-1H-indole-3-ethanamine
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CNCCc1c[nH]c2ccc(OC)cc12
Molecular Formula
C12 H16 N2 O
Molecular Weight
204.27
InChI
InChI=1S/C12H16N2O/c1-13-6-5-9-8-14-12-4-3-10(15-2)7-11(9)12/h3-4,7-8,13-14H,5-6H2,1-2H3
Additionnal Information
IUPAC name: 2-(5-methoxy-1H-indol-3-yl)-N-methyl-ethanamine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Methoxy-N-Methyltryptamine

N,O-dimethylserotonin is a tryptamine derivative hahing a methoxy group at position 5 of the indole portion and a methyl substituent on the side-chain nitrogen. It is functionally related to a serotonin.

CAS Number2009-03-2
PubChem CID16184
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine
Molecular FormulaC12H16N2O
Molecular Weight204.27
XLogP1
Topological Polar Surface Area37.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity198
SMILES
CNCCC1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C12H16N2O/c1-13-6-5-9-8-14-12-4-3-10(15-2)7-11(9)12/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKey
NFDDCRIHMZGWBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-N-Methyltryptamine
CAS: 2009-03-2
CID: 16184
Formula: C12H16N2O
MW: 204.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.27
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass204.126263138
Monoisotopic Mass204.126263138
Topological Polar Surface Area37.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity198
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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