N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine

C13H21NO3 — CID 116914683

IUPACN,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(C(C)N(C)C)cc(OC)c1OC
InChIInChI=1S/C13H21NO3/c1-9(14(2)3)10-7-11(15-4)13(17-6)12(8-10)16-5/h7-9H,1-6H3
InChIKeyGTQUKNSKUALKKO-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.34
Rot. Bonds5

About N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine

N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 116914683) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID116914683
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(C(C)N(C)C)cc(OC)c1OC
InChIInChI=1S/C13H21NO3/c1-9(14(2)3)10-7-11(15-4)13(17-6)12(8-10)16-5/h7-9H,1-6H3
InChIKeyGTQUKNSKUALKKO-UHFFFAOYSA-N
XLogP2.34
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116909317
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82710078
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412
N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82711410
1-(3,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933323
2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 75069436
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 117044084
5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene
CID 15310594
N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide
CID 112506945
N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 110624051

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 116914683) is N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine is COc1cc(C(C)N(C)C)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is GTQUKNSKUALKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(14(2)3)10-7-11(15-4)13(17-6)12(8-10)16-5/h7-9H,1-6H3.
What are the key properties of N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine?
N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 239.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 116914683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).