2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol

C33H35NO2 — CID 102055377

IUPAC2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)[C@@H]1CCC[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35NO2/c35-25-24-34(26-27-14-5-1-6-15-27)31-22-13-23-32(31)36-33(28-16-7-2-8-17-28,29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-12,14-21,31-32,35H,13,22-26H2/t31-,32-/m1/s1
InChIKeyQRHRCEWAAPIQNT-ROJLCIKYSA-N
MW477.65 g/mol
LogP6.41
Rot. Bonds10

About 2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol

2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol (PubChem CID 102055377) has the molecular formula C33H35NO2 and a molecular weight of 477.65 g/mol. Its IUPAC name is 2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol
PubChem CID102055377
Molecular FormulaC33H35NO2
Molecular Weight477.65 g/mol
Exact Mass477.27
IUPAC Name2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)[C@@H]1CCC[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35NO2/c35-25-24-34(26-27-14-5-1-6-15-27)31-22-13-23-32(31)36-33(28-16-7-2-8-17-28,29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-12,14-21,31-32,35H,13,22-26H2/t31-,32-/m1/s1
InChIKeyQRHRCEWAAPIQNT-ROJLCIKYSA-N
XLogP6.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol (CID 102055377) is 2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol is OCCN(Cc1ccccc1)[C@@H]1CCC[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol?
The InChIKey is QRHRCEWAAPIQNT-ROJLCIKYSA-N. The full InChI is InChI=1S/C33H35NO2/c35-25-24-34(26-27-14-5-1-6-15-27)31-22-13-23-32(31)36-33(28-16-7-2-8-17-28,29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-12,14-21,31-32,35H,13,22-26H2/t31-,32-/m1/s1.
What are the key properties of 2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol?
2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol has a molecular weight of 477.65 g/mol, XLogP of 6.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol is sourced from PubChem (CID 102055377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).