1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol

C22H36N4O3 — CID 45240734

IUPAC1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
SMILESCCN(CC)CC(O)COc1ccc(CN(C)Cc2nccn2CC)cc1OC
InChIInChI=1S/C22H36N4O3/c1-6-25(7-2)15-19(27)17-29-20-10-9-18(13-21(20)28-5)14-24(4)16-22-23-11-12-26(22)8-3/h9-13,19,27H,6-8,14-17H2,1-5H3
InChIKeyLHHXGCVVLCDULD-UHFFFAOYSA-N
MW404.56 g/mol
LogP2.63
Rot. Bonds13

About 1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol

1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol (PubChem CID 45240734) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
PubChem CID45240734
Molecular FormulaC22H36N4O3
Molecular Weight404.56 g/mol
Exact Mass404.28
IUPAC Name1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
SMILESCCN(CC)CC(O)COc1ccc(CN(C)Cc2nccn2CC)cc1OC
InChIInChI=1S/C22H36N4O3/c1-6-25(7-2)15-19(27)17-29-20-10-9-18(13-21(20)28-5)14-24(4)16-22-23-11-12-26(22)8-3/h9-13,19,27H,6-8,14-17H2,1-5H3
InChIKeyLHHXGCVVLCDULD-UHFFFAOYSA-N
XLogP2.63
TPSA62.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol with MolForge

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Related Compounds

1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 45229167
1-(azocan-1-yl)-3-[5-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45230125
1-(diethylamino)-3-[2-methoxy-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 45169870
1-[4-[2-hydroxy-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propoxy]-3-methoxyphenyl]ethanone
CID 56508736
(2S)-1-(diethylamino)-3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 25482880
(2R)-1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]-2-methoxyphenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 30728861
1-(diethylamino)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol
CID 45242296
(2R)-1-[benzyl(methyl)amino]-3-[5-[[2-(diethylamino)ethyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 51633903
1-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl-methylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 156789903
1-(4-ethylpiperazin-1-yl)-3-[2-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45200927
1-(diethylamino)-3-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]propan-2-ol
CID 45238338
(2R)-1-(diethylamino)-3-[2-methoxy-4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol
CID 26319779

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol (CID 45240734) is 1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol is CCN(CC)CC(O)COc1ccc(CN(C)Cc2nccn2CC)cc1OC.
What is the InChIKey of 1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol?
The InChIKey is LHHXGCVVLCDULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-6-25(7-2)15-19(27)17-29-20-10-9-18(13-21(20)28-5)14-24(4)16-22-23-11-12-26(22)8-3/h9-13,19,27H,6-8,14-17H2,1-5H3.
What are the key properties of 1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol?
1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol has a molecular weight of 404.56 g/mol, XLogP of 2.63, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol is sourced from PubChem (CID 45240734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).