1-phenyl-N-tritylethanamine

C27H25N — CID 70688978

IUPAC1-phenyl-N-tritylethanamine
SMILESCC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25N/c1-22(23-14-6-2-7-15-23)28-27(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,28H,1H3
InChIKeyCKMSNVMYZASRFE-UHFFFAOYSA-N
MW363.50 g/mol
LogP6.33
Rot. Bonds6

About 1-phenyl-N-tritylethanamine

1-phenyl-N-tritylethanamine (PubChem CID 70688978) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-phenyl-N-tritylethanamine.

Molecular Properties

Compound Name1-phenyl-N-tritylethanamine
PubChem CID70688978
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Name1-phenyl-N-tritylethanamine
SMILESCC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25N/c1-22(23-14-6-2-7-15-23)28-27(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,28H,1H3
InChIKeyCKMSNVMYZASRFE-UHFFFAOYSA-N
XLogP6.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-phenyl-N-tritylethanamine?
The IUPAC name of 1-phenyl-N-tritylethanamine (CID 70688978) is 1-phenyl-N-tritylethanamine.
What is the SMILES notation for 1-phenyl-N-tritylethanamine?
The canonical SMILES for 1-phenyl-N-tritylethanamine is CC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-tritylethanamine?
The InChIKey is CKMSNVMYZASRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-22(23-14-6-2-7-15-23)28-27(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,28H,1H3.
What are the key properties of 1-phenyl-N-tritylethanamine?
1-phenyl-N-tritylethanamine has a molecular weight of 363.50 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-tritylethanamine is sourced from PubChem (CID 70688978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).