N,N-diethyl-2-trityloxyethanamine;hydrochloride

C25H30ClNO — CID 3025300

IUPACN,N-diethyl-2-trityloxyethanamine;hydrochloride
SMILESCCN(CC)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C25H29NO.ClH/c1-3-26(4-2)20-21-27-25(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24;/h5-19H,3-4,20-21H2,1-2H3;1H
InChIKeyJXBSFUREFZAXTB-UHFFFAOYSA-N
MW395.97 g/mol
LogP5.76
Rot. Bonds9

About N,N-diethyl-2-trityloxyethanamine;hydrochloride

N,N-diethyl-2-trityloxyethanamine;hydrochloride (PubChem CID 3025300) has the molecular formula C25H30ClNO and a molecular weight of 395.97 g/mol. Its IUPAC name is N,N-diethyl-2-trityloxyethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-trityloxyethanamine;hydrochloride
PubChem CID3025300
Molecular FormulaC25H30ClNO
Molecular Weight395.97 g/mol
Exact Mass395.20
IUPAC NameN,N-diethyl-2-trityloxyethanamine;hydrochloride
SMILESCCN(CC)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C25H29NO.ClH/c1-3-26(4-2)20-21-27-25(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24;/h5-19H,3-4,20-21H2,1-2H3;1H
InChIKeyJXBSFUREFZAXTB-UHFFFAOYSA-N
XLogP5.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.97
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N,N-diethyl-2-trityloxyethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-trityloxyethanamine;hydrochloride (CID 3025300) is N,N-diethyl-2-trityloxyethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-trityloxyethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-trityloxyethanamine;hydrochloride is CCN(CC)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N,N-diethyl-2-trityloxyethanamine;hydrochloride?
The InChIKey is JXBSFUREFZAXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO.ClH/c1-3-26(4-2)20-21-27-25(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24;/h5-19H,3-4,20-21H2,1-2H3;1H.
What are the key properties of N,N-diethyl-2-trityloxyethanamine;hydrochloride?
N,N-diethyl-2-trityloxyethanamine;hydrochloride has a molecular weight of 395.97 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-trityloxyethanamine;hydrochloride is sourced from PubChem (CID 3025300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).