(2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol

C28H35NO5 — CID 25413639

IUPAC(2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol
SMILESCOCCN(Cc1ccccc1)C[C@@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C28H35NO5/c1-31-18-17-29(19-22-7-5-4-6-8-22)20-25(30)21-34-28(23-9-13-26(32-2)14-10-23)24-11-15-27(33-3)16-12-24/h4-16,25,28,30H,17-21H2,1-3H3/t25-/m1/s1
InChIKeyRFIRGGAMRUWBHS-RUZDIDTESA-N
MW465.59 g/mol
LogP4.32
Rot. Bonds14

About (2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol

(2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol (PubChem CID 25413639) has the molecular formula C28H35NO5 and a molecular weight of 465.59 g/mol. Its IUPAC name is (2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol
PubChem CID25413639
Molecular FormulaC28H35NO5
Molecular Weight465.59 g/mol
Exact Mass465.25
IUPAC Name(2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol
SMILESCOCCN(Cc1ccccc1)C[C@@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C28H35NO5/c1-31-18-17-29(19-22-7-5-4-6-8-22)20-25(30)21-34-28(23-9-13-26(32-2)14-10-23)24-11-15-27(33-3)16-12-24/h4-16,25,28,30H,17-21H2,1-3H3/t25-/m1/s1
InChIKeyRFIRGGAMRUWBHS-RUZDIDTESA-N
XLogP4.32
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol with MolForge

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Related Compounds

1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
CID 24713640
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
(2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160404
1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 42836990
(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
CID 93160595
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 93161426
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160726
2-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]-1-phenylethanol
CID 24713596
(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93162983

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of (2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol (CID 25413639) is (2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol is COCCN(Cc1ccccc1)C[C@@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of (2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol?
The InChIKey is RFIRGGAMRUWBHS-RUZDIDTESA-N. The full InChI is InChI=1S/C28H35NO5/c1-31-18-17-29(19-22-7-5-4-6-8-22)20-25(30)21-34-28(23-9-13-26(32-2)14-10-23)24-11-15-27(33-3)16-12-24/h4-16,25,28,30H,17-21H2,1-3H3/t25-/m1/s1.
What are the key properties of (2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol?
(2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol has a molecular weight of 465.59 g/mol, XLogP of 4.32, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 25413639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).