2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine

C20H34N2O — CID 15105209

IUPAC2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine
SMILESCCN(CC)CCOCCNCC1(c2ccccc2)CCCC1
InChIInChI=1S/C20H34N2O/c1-3-22(4-2)15-17-23-16-14-21-18-20(12-8-9-13-20)19-10-6-5-7-11-19/h5-7,10-11,21H,3-4,8-9,12-18H2,1-2H3
InChIKeyPESNTRMDYRWEBG-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.45
Rot. Bonds11

About 2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine

2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine (PubChem CID 15105209) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine
PubChem CID15105209
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine
SMILESCCN(CC)CCOCCNCC1(c2ccccc2)CCCC1
InChIInChI=1S/C20H34N2O/c1-3-22(4-2)15-17-23-16-14-21-18-20(12-8-9-13-20)19-10-6-5-7-11-19/h5-7,10-11,21H,3-4,8-9,12-18H2,1-2H3
InChIKeyPESNTRMDYRWEBG-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine (CID 15105209) is 2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine is CCN(CC)CCOCCNCC1(c2ccccc2)CCCC1.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine?
The InChIKey is PESNTRMDYRWEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-3-22(4-2)15-17-23-16-14-21-18-20(12-8-9-13-20)19-10-6-5-7-11-19/h5-7,10-11,21H,3-4,8-9,12-18H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine?
2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine has a molecular weight of 318.51 g/mol, XLogP of 3.45, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-N-[(1-phenylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 15105209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).