N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine

C20H34N2O — CID 46890597

IUPACN-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(OCCCCCN2CCCC2)cc1
InChIInChI=1S/C20H34N2O/c1-3-21(4-2)18-19-10-12-20(13-11-19)23-17-9-5-6-14-22-15-7-8-16-22/h10-13H,3-9,14-18H2,1-2H3
InChIKeyKKPXVGUQAVWREI-UHFFFAOYSA-N
MW318.50 g/mol
LogP4.17
Rot. Bonds11

About N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine

N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine (PubChem CID 46890597) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine
PubChem CID46890597
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC NameN-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(OCCCCCN2CCCC2)cc1
InChIInChI=1S/C20H34N2O/c1-3-21(4-2)18-19-10-12-20(13-11-19)23-17-9-5-6-14-22-15-7-8-16-22/h10-13H,3-9,14-18H2,1-2H3
InChIKeyKKPXVGUQAVWREI-UHFFFAOYSA-N
XLogP4.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.17
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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Related Compounds

N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 46890555
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
CID 46890082
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
CID 71034556
N,N-dibutyl-10-[4-(diethylaminomethyl)phenoxy]decan-1-amine
CID 46890174
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
N,N-dibutyl-6-[4-(diethylaminomethyl)phenoxy]hexan-1-amine
CID 46890024
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[4-(4-iodophenoxy)butyl]pyrrolidine
CID 2232625
2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol
CID 10990902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine (CID 46890597) is N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(OCCCCCN2CCCC2)cc1.
What is the InChIKey of N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine?
The InChIKey is KKPXVGUQAVWREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-3-21(4-2)18-19-10-12-20(13-11-19)23-17-9-5-6-14-22-15-7-8-16-22/h10-13H,3-9,14-18H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine?
N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine has a molecular weight of 318.50 g/mol, XLogP of 4.17, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 46890597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).