N-trityl-2-trityloxyethanamine

C40H35NO — CID 4066841

IUPACN-trityl-2-trityloxyethanamine
SMILESc1ccc(C(NCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C40H35NO/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)41-31-32-42-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,41H,31-32H2
InChIKeyRWYUAMAONSKQNH-UHFFFAOYSA-N
MW545.73 g/mol
LogP8.58
Rot. Bonds11

About N-trityl-2-trityloxyethanamine

N-trityl-2-trityloxyethanamine (PubChem CID 4066841) has the molecular formula C40H35NO and a molecular weight of 545.73 g/mol. Its IUPAC name is N-trityl-2-trityloxyethanamine.

Molecular Properties

Compound NameN-trityl-2-trityloxyethanamine
PubChem CID4066841
Molecular FormulaC40H35NO
Molecular Weight545.73 g/mol
Exact Mass545.27
IUPAC NameN-trityl-2-trityloxyethanamine
SMILESc1ccc(C(NCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C40H35NO/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)41-31-32-42-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,41H,31-32H2
InChIKeyRWYUAMAONSKQNH-UHFFFAOYSA-N
XLogP8.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.73
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-trityl-2-trityloxyethanamine?
The IUPAC name of N-trityl-2-trityloxyethanamine (CID 4066841) is N-trityl-2-trityloxyethanamine.
What is the SMILES notation for N-trityl-2-trityloxyethanamine?
The canonical SMILES for N-trityl-2-trityloxyethanamine is c1ccc(C(NCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-trityl-2-trityloxyethanamine?
The InChIKey is RWYUAMAONSKQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35NO/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)41-31-32-42-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,41H,31-32H2.
What are the key properties of N-trityl-2-trityloxyethanamine?
N-trityl-2-trityloxyethanamine has a molecular weight of 545.73 g/mol, XLogP of 8.58, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-trityl-2-trityloxyethanamine is sourced from PubChem (CID 4066841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).