1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol

C28H35NO5 — CID 4852513

IUPAC1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCCOc1ccc(CN(C)CC(O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H35NO5/c1-5-33-27-12-6-21(7-13-27)18-29(2)19-24(30)20-34-28(22-8-14-25(31-3)15-9-22)23-10-16-26(32-4)17-11-23/h6-17,24,28,30H,5,18-20H2,1-4H3
InChIKeyBVENFMNYIOTMEI-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.70
Rot. Bonds13

About 1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol

1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol (PubChem CID 4852513) has the molecular formula C28H35NO5 and a molecular weight of 465.59 g/mol. Its IUPAC name is 1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
PubChem CID4852513
Molecular FormulaC28H35NO5
Molecular Weight465.59 g/mol
Exact Mass465.25
IUPAC Name1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCCOc1ccc(CN(C)CC(O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H35NO5/c1-5-33-27-12-6-21(7-13-27)18-29(2)19-24(30)20-34-28(22-8-14-25(31-3)15-9-22)23-10-16-26(32-4)17-11-23/h6-17,24,28,30H,5,18-20H2,1-4H3
InChIKeyBVENFMNYIOTMEI-UHFFFAOYSA-N
XLogP4.70
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol (CID 4852513) is 1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol is CCOc1ccc(CN(C)CC(O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol?
The InChIKey is BVENFMNYIOTMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO5/c1-5-33-27-12-6-21(7-13-27)18-29(2)19-24(30)20-34-28(22-8-14-25(31-3)15-9-22)23-10-16-26(32-4)17-11-23/h6-17,24,28,30H,5,18-20H2,1-4H3.
What are the key properties of 1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol?
1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol has a molecular weight of 465.59 g/mol, XLogP of 4.70, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 4852513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).