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

C21H36N2O — CID 15105211

IUPAC2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine
SMILESCCN(CC)CCOCCN(C)CC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H36N2O/c1-4-23(5-2)16-18-24-17-15-22(3)19-21(13-9-10-14-21)20-11-7-6-8-12-20/h6-8,11-12H,4-5,9-10,13-19H2,1-3H3
InChIKeyHJIDDNWODZXEAI-UHFFFAOYSA-N
MW332.53 g/mol
LogP3.79
Rot. Bonds11

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

2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine (PubChem CID 15105211) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine
PubChem CID15105211
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine
SMILESCCN(CC)CCOCCN(C)CC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H36N2O/c1-4-23(5-2)16-18-24-17-15-22(3)19-21(13-9-10-14-21)20-11-7-6-8-12-20/h6-8,11-12H,4-5,9-10,13-19H2,1-3H3
InChIKeyHJIDDNWODZXEAI-UHFFFAOYSA-N
XLogP3.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 53.79
H-Bond Donors ≤ 50
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-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine (CID 15105211) is 2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine is CCN(CC)CCOCCN(C)CC1(c2ccccc2)CCCC1.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine?
The InChIKey is HJIDDNWODZXEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-4-23(5-2)16-18-24-17-15-22(3)19-21(13-9-10-14-21)20-11-7-6-8-12-20/h6-8,11-12H,4-5,9-10,13-19H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine?
2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine has a molecular weight of 332.53 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-N-methyl-N-[(1-phenylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 15105211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).