2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine

C18H31NO3 — CID 5262022

IUPAC2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
SMILESCOCCN(CCOC)CCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C18H31NO3/c1-15(2)17-7-6-16(3)14-18(17)22-13-10-19(8-11-20-4)9-12-21-5/h6-7,14-15H,8-13H2,1-5H3
InChIKeyWDZSSLSRMRABCY-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.09
Rot. Bonds11

About 2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine

2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine (PubChem CID 5262022) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
PubChem CID5262022
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
SMILESCOCCN(CCOC)CCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C18H31NO3/c1-15(2)17-7-6-16(3)14-18(17)22-13-10-19(8-11-20-4)9-12-21-5/h6-7,14-15H,8-13H2,1-5H3
InChIKeyWDZSSLSRMRABCY-UHFFFAOYSA-N
XLogP3.09
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methyl-2-propan-2-ylphenoxy)-N,N-dipropylpropan-1-amine;oxalic acid
CID 2934936
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine
CID 63640120
3-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4136006
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
CID 4280995
3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069
4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene
CID 2283471
4-methyl-2-methylperoxy-1-propan-2-ylbenzene
CID 135233977
butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium
CID 2581375

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine (CID 5262022) is 2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine is COCCN(CCOC)CCOc1cc(C)ccc1C(C)C.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine?
The InChIKey is WDZSSLSRMRABCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-15(2)17-7-6-16(3)14-18(17)22-13-10-19(8-11-20-4)9-12-21-5/h6-7,14-15H,8-13H2,1-5H3.
What are the key properties of 2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine?
2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine has a molecular weight of 309.45 g/mol, XLogP of 3.09, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 5262022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).