1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol

C21H29NO6 — CID 132778130

IUPAC1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CN(C)Cc2ccc(OCCO)c(OC)c2)cc1
InChIInChI=1S/C21H29NO6/c1-22(13-16-4-9-20(27-11-10-23)21(12-16)26-3)14-17(24)15-28-19-7-5-18(25-2)6-8-19/h4-9,12,17,23-24H,10-11,13-15H2,1-3H3
InChIKeyOWLVNAKTHGGEHQ-UHFFFAOYSA-N
MW391.46 g/mol
LogP1.95
Rot. Bonds12

About 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol

1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 132778130) has the molecular formula C21H29NO6 and a molecular weight of 391.46 g/mol. Its IUPAC name is 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID132778130
Molecular FormulaC21H29NO6
Molecular Weight391.46 g/mol
Exact Mass391.20
IUPAC Name1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CN(C)Cc2ccc(OCCO)c(OC)c2)cc1
InChIInChI=1S/C21H29NO6/c1-22(13-16-4-9-20(27-11-10-23)21(12-16)26-3)14-17(24)15-28-19-7-5-18(25-2)6-8-19/h4-9,12,17,23-24H,10-11,13-15H2,1-3H3
InChIKeyOWLVNAKTHGGEHQ-UHFFFAOYSA-N
XLogP1.95
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778982
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823
1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol
CID 132777879
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 55346663
methyl 4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-hydroxypropoxy]benzoate
CID 46664178
(2R)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 2508986
(2S)-1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 93160834
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
1-(3-bromo-4-fluorophenoxy)-3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl-methylamino]propan-2-ol
CID 167244390
(2S)-1-(3-bromophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 26009134
1-(3-bromophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 17479987
(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42511734

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol (CID 132778130) is 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CN(C)Cc2ccc(OCCO)c(OC)c2)cc1.
What is the InChIKey of 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is OWLVNAKTHGGEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO6/c1-22(13-16-4-9-20(27-11-10-23)21(12-16)26-3)14-17(24)15-28-19-7-5-18(25-2)6-8-19/h4-9,12,17,23-24H,10-11,13-15H2,1-3H3.
What are the key properties of 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol?
1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 391.46 g/mol, XLogP of 1.95, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 132778130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).