N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline

C19H28N4O2 — CID 46967331

IUPACN-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline
SMILESCCN(Cc1cncn1C)c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C19H28N4O2/c1-3-23(15-18-14-20-16-21(18)2)17-5-4-6-19(13-17)25-12-9-22-7-10-24-11-8-22/h4-6,13-14,16H,3,7-12,15H2,1-2H3
InChIKeyYKAUSZLLFLCRAA-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.16
Rot. Bonds8

About N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline

N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline (PubChem CID 46967331) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline.

Molecular Properties

Compound NameN-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline
PubChem CID46967331
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline
SMILESCCN(Cc1cncn1C)c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C19H28N4O2/c1-3-23(15-18-14-20-16-21(18)2)17-5-4-6-19(13-17)25-12-9-22-7-10-24-11-8-22/h4-6,13-14,16H,3,7-12,15H2,1-2H3
InChIKeyYKAUSZLLFLCRAA-UHFFFAOYSA-N
XLogP2.16
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide
CID 23557227
4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
CID 70920966
1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone
CID 68857180
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
4-[2-[3-(1-methylcyclopropyl)phenoxy]ethyl]morpholine
CID 143919423
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
6-N,6-N-diethyl-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 143229880
(2S)-2-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide
CID 59033857
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline?
The IUPAC name of N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline (CID 46967331) is N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline.
What is the SMILES notation for N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline?
The canonical SMILES for N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline is CCN(Cc1cncn1C)c1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline?
The InChIKey is YKAUSZLLFLCRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-23(15-18-14-20-16-21(18)2)17-5-4-6-19(13-17)25-12-9-22-7-10-24-11-8-22/h4-6,13-14,16H,3,7-12,15H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline?
N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline has a molecular weight of 344.46 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline is sourced from PubChem (CID 46967331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).