8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine

C23H42N2O — CID 46890082

IUPAC8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
SMILESCCN(CC)CCCCCCCCOc1ccc(CN(CC)CC)cc1
InChIInChI=1S/C23H42N2O/c1-5-24(6-2)19-13-11-9-10-12-14-20-26-23-17-15-22(16-18-23)21-25(7-3)8-4/h15-18H,5-14,19-21H2,1-4H3
InChIKeyGYCQGSQJICZJAE-UHFFFAOYSA-N
MW362.60 g/mol
LogP5.59
Rot. Bonds16

About 8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine

8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine (PubChem CID 46890082) has the molecular formula C23H42N2O and a molecular weight of 362.60 g/mol. Its IUPAC name is 8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine.

Molecular Properties

Compound Name8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
PubChem CID46890082
Molecular FormulaC23H42N2O
Molecular Weight362.60 g/mol
Exact Mass362.33
IUPAC Name8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
SMILESCCN(CC)CCCCCCCCOc1ccc(CN(CC)CC)cc1
InChIInChI=1S/C23H42N2O/c1-5-24(6-2)19-13-11-9-10-12-14-20-26-23-17-15-22(16-18-23)21-25(7-3)8-4/h15-18H,5-14,19-21H2,1-4H3
InChIKeyGYCQGSQJICZJAE-UHFFFAOYSA-N
XLogP5.59
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 55.59
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,N-dibutyl-10-[4-(diethylaminomethyl)phenoxy]decan-1-amine
CID 46890174
N,N-dibutyl-6-[4-(diethylaminomethyl)phenoxy]hexan-1-amine
CID 46890024
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine
CID 46890597
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048
N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine
CID 91080596
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline
CID 61450798
N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
CID 43588416
N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 46890555
9-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylnonan-1-amine
CID 54293078

Frequently Asked Questions

What is the IUPAC name of 8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine?
The IUPAC name of 8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine (CID 46890082) is 8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine.
What is the SMILES notation for 8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine?
The canonical SMILES for 8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine is CCN(CC)CCCCCCCCOc1ccc(CN(CC)CC)cc1.
What is the InChIKey of 8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine?
The InChIKey is GYCQGSQJICZJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O/c1-5-24(6-2)19-13-11-9-10-12-14-20-26-23-17-15-22(16-18-23)21-25(7-3)8-4/h15-18H,5-14,19-21H2,1-4H3.
What are the key properties of 8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine?
8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine has a molecular weight of 362.60 g/mol, XLogP of 5.59, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine is sourced from PubChem (CID 46890082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).