1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol

C18H32N2O6 — CID 3638612

IUPAC1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
SMILESCN(CCO)CC(O)COc1ccc(OCC(O)CN(C)CCO)cc1
InChIInChI=1S/C18H32N2O6/c1-19(7-9-21)11-15(23)13-25-17-3-5-18(6-4-17)26-14-16(24)12-20(2)8-10-22/h3-6,15-16,21-24H,7-14H2,1-2H3
InChIKeyUSZPCPWIZKNKSP-UHFFFAOYSA-N
MW372.46 g/mol
LogP-0.99
Rot. Bonds14

About 1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol

1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol (PubChem CID 3638612) has the molecular formula C18H32N2O6 and a molecular weight of 372.46 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
PubChem CID3638612
Molecular FormulaC18H32N2O6
Molecular Weight372.46 g/mol
Exact Mass372.23
IUPAC Name1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
SMILESCN(CCO)CC(O)COc1ccc(OCC(O)CN(C)CCO)cc1
InChIInChI=1S/C18H32N2O6/c1-19(7-9-21)11-15(23)13-25-17-3-5-18(6-4-17)26-14-16(24)12-20(2)8-10-22/h3-6,15-16,21-24H,7-14H2,1-2H3
InChIKeyUSZPCPWIZKNKSP-UHFFFAOYSA-N
XLogP-0.99
TPSA105.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol with MolForge

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Related Compounds

4-[2-hydroxy-3-[5-hydroxypentyl(methyl)amino]propoxy]benzonitrile
CID 107199656
4-[2-hydroxy-3-[methyl(propyl)amino]propoxy]benzonitrile
CID 43289032
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766
(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 95232149
(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol
CID 98787204
1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol
CID 43294523
1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 81058463
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
1-(4-tert-butyl-2-methylphenoxy)-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 110877511
1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18278682
1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 63934385
4-[(2S)-3-[2-(4-bromophenoxy)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 9166143

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol (CID 3638612) is 1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol is CN(CCO)CC(O)COc1ccc(OCC(O)CN(C)CCO)cc1.
What is the InChIKey of 1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol?
The InChIKey is USZPCPWIZKNKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O6/c1-19(7-9-21)11-15(23)13-25-17-3-5-18(6-4-17)26-14-16(24)12-20(2)8-10-22/h3-6,15-16,21-24H,7-14H2,1-2H3.
What are the key properties of 1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol?
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol has a molecular weight of 372.46 g/mol, XLogP of -0.99, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol is sourced from PubChem (CID 3638612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).