N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine

C20H27NO5 — CID 14895640

IUPACN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
SMILESCOc1ccccc1OCCN(C)CCOc1c(OC)cccc1OC
InChIInChI=1S/C20H27NO5/c1-21(12-14-25-17-9-6-5-8-16(17)22-2)13-15-26-20-18(23-3)10-7-11-19(20)24-4/h5-11H,12-15H2,1-4H3
InChIKeyJHGKZRSXLPGLJD-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.10
Rot. Bonds11

About N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine

N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine (PubChem CID 14895640) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
PubChem CID14895640
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
SMILESCOc1ccccc1OCCN(C)CCOc1c(OC)cccc1OC
InChIInChI=1S/C20H27NO5/c1-21(12-14-25-17-9-6-5-8-16(17)22-2)13-15-26-20-18(23-3)10-7-11-19(20)24-4/h5-11H,12-15H2,1-4H3
InChIKeyJHGKZRSXLPGLJD-UHFFFAOYSA-N
XLogP3.10
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
CID 2181134
[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol
CID 91836426
2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
CID 2283961
N-[2-(2-methoxyphenoxy)ethyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915931
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate
CID 71875972
methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60965015
methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate
CID 11610828
1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 78896461
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine?
The IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine (CID 14895640) is N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine.
What is the SMILES notation for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine?
The canonical SMILES for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine is COc1ccccc1OCCN(C)CCOc1c(OC)cccc1OC.
What is the InChIKey of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine?
The InChIKey is JHGKZRSXLPGLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-21(12-14-25-17-9-6-5-8-16(17)22-2)13-15-26-20-18(23-3)10-7-11-19(20)24-4/h5-11H,12-15H2,1-4H3.
What are the key properties of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine?
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine has a molecular weight of 361.44 g/mol, XLogP of 3.10, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine is sourced from PubChem (CID 14895640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).