N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine

C20H27NO — CID 67127545

IUPACN-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine
SMILESCCOC(C)CNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO/c1-3-22-17(2)16-21-15-14-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20-21H,3,14-16H2,1-2H3
InChIKeyDKOXCZRUECYLHG-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.22
Rot. Bonds9

About N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine

N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine (PubChem CID 67127545) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine
PubChem CID67127545
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine
SMILESCCOC(C)CNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO/c1-3-22-17(2)16-21-15-14-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20-21H,3,14-16H2,1-2H3
InChIKeyDKOXCZRUECYLHG-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine?
The IUPAC name of N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine (CID 67127545) is N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine.
What is the SMILES notation for N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine?
The canonical SMILES for N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine is CCOC(C)CNCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine?
The InChIKey is DKOXCZRUECYLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-22-17(2)16-21-15-14-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20-21H,3,14-16H2,1-2H3.
What are the key properties of N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine?
N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine is sourced from PubChem (CID 67127545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).