[5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol

C30H33NO3 — CID 46017787

IUPAC[5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
SMILESCOCCCN(Cc1cccc(C)c1)Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C30H33NO3/c1-24-11-9-12-25(21-24)22-31(19-10-20-33-2)23-28-17-18-29(34-28)30(32,26-13-5-3-6-14-26)27-15-7-4-8-16-27/h3-9,11-18,21,32H,10,19-20,22-23H2,1-2H3
InChIKeyWEGSFIPQZNVZQH-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.91
Rot. Bonds11

About [5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol

[5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol (PubChem CID 46017787) has the molecular formula C30H33NO3 and a molecular weight of 455.60 g/mol. Its IUPAC name is [5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
PubChem CID46017787
Molecular FormulaC30H33NO3
Molecular Weight455.60 g/mol
Exact Mass455.25
IUPAC Name[5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
SMILESCOCCCN(Cc1cccc(C)c1)Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C30H33NO3/c1-24-11-9-12-25(21-24)22-31(19-10-20-33-2)23-28-17-18-29(34-28)30(32,26-13-5-3-6-14-26)27-15-7-4-8-16-27/h3-9,11-18,21,32H,10,19-20,22-23H2,1-2H3
InChIKeyWEGSFIPQZNVZQH-UHFFFAOYSA-N
XLogP5.91
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46151282
[5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol
CID 46017730
[5-[[(3-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017728
2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
CID 112842027
[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017637
bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol
CID 46017738
[5-[[3-methoxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46015495
4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 42839321
1-[3-methoxypropyl-[(3-methylphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24714136
bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46017764
N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 63285263
bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol
CID 46017527

Frequently Asked Questions

What is the IUPAC name of [5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol?
The IUPAC name of [5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol (CID 46017787) is [5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol.
What is the SMILES notation for [5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol?
The canonical SMILES for [5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol is COCCCN(Cc1cccc(C)c1)Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of [5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol?
The InChIKey is WEGSFIPQZNVZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO3/c1-24-11-9-12-25(21-24)22-31(19-10-20-33-2)23-28-17-18-29(34-28)30(32,26-13-5-3-6-14-26)27-15-7-4-8-16-27/h3-9,11-18,21,32H,10,19-20,22-23H2,1-2H3.
What are the key properties of [5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol?
[5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol has a molecular weight of 455.60 g/mol, XLogP of 5.91, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol is sourced from PubChem (CID 46017787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).