N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine

C13H21NO3 — CID 116914648

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

About N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine

N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine (PubChem CID 116914648) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine
PubChem CID116914648
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine
SMILESCOc1cc(OC)c(C(C)N(C)C)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-9(14(2)3)13-11(16-5)7-10(15-4)8-12(13)17-6/h7-9H,1-6H3
InChIKeyHXBKQZMFEMPSRI-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

1-bromo-N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)methanamine
CID 116915081
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile
CID 116909948
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020
1-(2-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
(3R)-3-(2,4,6-trimethoxyphenyl)butan-2-one
CID 86312414
1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904559
N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 116914683
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
CID 116907711

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine (CID 116914648) is N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine is COc1cc(OC)c(C(C)N(C)C)c(OC)c1.
What is the InChIKey of N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine?
The InChIKey is HXBKQZMFEMPSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(14(2)3)13-11(16-5)7-10(15-4)8-12(13)17-6/h7-9H,1-6H3.
What are the key properties of N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine?
N,N-dimethyl-1-(2,4,6-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-(2,4,6-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 116914648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).