1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol

C23H35N3O3 — CID 45229167

IUPAC1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol
SMILESCCN(CC)CC(O)COc1ccc(CN(C)Cc2ncccc2C)cc1OC
InChIInChI=1S/C23H35N3O3/c1-6-26(7-2)15-20(27)17-29-22-11-10-19(13-23(22)28-5)14-25(4)16-21-18(3)9-8-12-24-21/h8-13,20,27H,6-7,14-17H2,1-5H3
InChIKeyAKSUBBAWJUBLJF-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.11
Rot. Bonds12

About 1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol

1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol (PubChem CID 45229167) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol
PubChem CID45229167
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol
SMILESCCN(CC)CC(O)COc1ccc(CN(C)Cc2ncccc2C)cc1OC
InChIInChI=1S/C23H35N3O3/c1-6-26(7-2)15-20(27)17-29-22-11-10-19(13-23(22)28-5)14-25(4)16-21-18(3)9-8-12-24-21/h8-13,20,27H,6-7,14-17H2,1-5H3
InChIKeyAKSUBBAWJUBLJF-UHFFFAOYSA-N
XLogP3.11
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-(diethylamino)-3-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45240734
1-(diethylamino)-3-[2-methoxy-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 45169870
(2S)-1-(diethylamino)-3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 25482880
(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
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 42530651
(2S)-1-(diethylamino)-3-[2-methoxy-4-[(2-phenylethylamino)methyl]phenoxy]propan-2-ol
CID 26406002
1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 45199722
1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol
CID 47092518
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-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol (CID 45229167) is 1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol is CCN(CC)CC(O)COc1ccc(CN(C)Cc2ncccc2C)cc1OC.
What is the InChIKey of 1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol?
The InChIKey is AKSUBBAWJUBLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-6-26(7-2)15-20(27)17-29-22-11-10-19(13-23(22)28-5)14-25(4)16-21-18(3)9-8-12-24-21/h8-13,20,27H,6-7,14-17H2,1-5H3.
What are the key properties of 1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol?
1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol has a molecular weight of 401.55 g/mol, XLogP of 3.11, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[2-methoxy-4-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45229167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).