1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol

C32H35NO4 — CID 15885631

IUPAC1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol
SMILESCOc1ccc(C(OCC(O)CN(C)Cc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H35NO4/c1-33(22-25-10-6-4-7-11-25)23-29(34)24-37-32(26-12-8-5-9-13-26,27-14-18-30(35-2)19-15-27)28-16-20-31(36-3)21-17-28/h4-21,29,34H,22-24H2,1-3H3
InChIKeyQEPJNTRLYTUBBU-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.51
Rot. Bonds12

About 1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol

1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol (PubChem CID 15885631) has the molecular formula C32H35NO4 and a molecular weight of 497.64 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol
PubChem CID15885631
Molecular FormulaC32H35NO4
Molecular Weight497.64 g/mol
Exact Mass497.26
IUPAC Name1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol
SMILESCOc1ccc(C(OCC(O)CN(C)Cc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H35NO4/c1-33(22-25-10-6-4-7-11-25)23-29(34)24-37-32(26-12-8-5-9-13-26,27-14-18-30(35-2)19-15-27)28-16-20-31(36-3)21-17-28/h4-21,29,34H,22-24H2,1-3H3
InChIKeyQEPJNTRLYTUBBU-UHFFFAOYSA-N
XLogP5.51
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis[(4-methoxyphenyl)methyl]-1,3-diazepan-2-one
CID 462330
(4R,5S,6S,7R)-1,3-Dibenzyl-5,6-dihydroxy-4,7-bis[4-(2-hydroxyethoxy)benzyl]-1,3-diazepan-2-one
CID 469628
1-Benzhydryl-4-(4-methoxyphenyl)piperidin-4-ol
CID 10384734
1-Phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride
CID 6918489
alpha-(Phenoxymethyl)-4-(4-phenoxyphenyl)-1-piperidineethanol
CID 6918490
(4S,5S)-2,7-bis[[2-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2,7-thiadiazepane-4,5-diol
CID 3013784
1-[(3-Methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol
CID 4852481
1-Benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol
CID 4852482
1-[Bis(4-methoxyphenyl)methoxy]-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
CID 4852513
1-[(3,4-Dimethoxyphenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 4852713
1-[Benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 4969392
1,1'-(Benzylazanediyl)bis(3-phenoxypropan-2-ol)
CID 12213410

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol (CID 15885631) is 1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol is COc1ccc(C(OCC(O)CN(C)Cc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol?
The InChIKey is QEPJNTRLYTUBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO4/c1-33(22-25-10-6-4-7-11-25)23-29(34)24-37-32(26-12-8-5-9-13-26,27-14-18-30(35-2)19-15-27)28-16-20-31(36-3)21-17-28/h4-21,29,34H,22-24H2,1-3H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol?
1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol has a molecular weight of 497.64 g/mol, XLogP of 5.51, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol is sourced from PubChem (CID 15885631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).