N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline

C18H23NO3 — CID 54211346

IUPACN-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline
SMILESCCN(CCOc1ccccc1)c1cc(OC)ccc1OC
InChIInChI=1S/C18H23NO3/c1-4-19(12-13-22-15-8-6-5-7-9-15)17-14-16(20-2)10-11-18(17)21-3/h5-11,14H,4,12-13H2,1-3H3
InChIKeyPWDZPOKZKCMSSV-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.61
Rot. Bonds8

About N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline

N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline (PubChem CID 54211346) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline.

Molecular Properties

Compound NameN-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline
PubChem CID54211346
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline
SMILESCCN(CCOc1ccccc1)c1cc(OC)ccc1OC
InChIInChI=1S/C18H23NO3/c1-4-19(12-13-22-15-8-6-5-7-9-15)17-14-16(20-2)10-11-18(17)21-3/h5-11,14H,4,12-13H2,1-3H3
InChIKeyPWDZPOKZKCMSSV-UHFFFAOYSA-N
XLogP3.61
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
CID 55681499
N-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117287
N-ethyl-N-(2-phenoxyethyl)formamide
CID 54279086
N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline
CID 55026790
2-N-ethyl-2-N-(3-phenoxypropyl)benzene-1,2-diamine
CID 62936282
4-(2,5-dimethoxy-N-propylanilino)butanoic acid
CID 100521422
[4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium
CID 54226224
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol
CID 90213605
N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline
CID 21019332
N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine
CID 28772873

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline?
The IUPAC name of N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline (CID 54211346) is N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline.
What is the SMILES notation for N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline?
The canonical SMILES for N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline is CCN(CCOc1ccccc1)c1cc(OC)ccc1OC.
What is the InChIKey of N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline?
The InChIKey is PWDZPOKZKCMSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-19(12-13-22-15-8-6-5-7-9-15)17-14-16(20-2)10-11-18(17)21-3/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline?
N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline has a molecular weight of 301.39 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline is sourced from PubChem (CID 54211346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).