N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine

C17H28N2O — CID 89350544

IUPACN-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
SMILESCN(CCOc1ccc(N)cc1)C1CCCCCCC1
InChIInChI=1S/C17H28N2O/c1-19(16-7-5-3-2-4-6-8-16)13-14-20-17-11-9-15(18)10-12-17/h9-12,16H,2-8,13-14,18H2,1H3
InChIKeyVSZIHTPAULOYSN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine

N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine (PubChem CID 89350544) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
PubChem CID89350544
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
SMILESCN(CCOc1ccc(N)cc1)C1CCCCCCC1
InChIInChI=1S/C17H28N2O/c1-19(16-7-5-3-2-4-6-8-16)13-14-20-17-11-9-15(18)10-12-17/h9-12,16H,2-8,13-14,18H2,1H3
InChIKeyVSZIHTPAULOYSN-UHFFFAOYSA-N
XLogP3.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266888
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline
CID 61439026
2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 43288697
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
CID 61090557
2-[2-(4-aminophenoxy)ethyl-cyclopentylamino]ethanol
CID 54993366
4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299834
2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290625
N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
CID 5262176
4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
CID 61444128
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine (CID 89350544) is N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine is CN(CCOc1ccc(N)cc1)C1CCCCCCC1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine?
The InChIKey is VSZIHTPAULOYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(16-7-5-3-2-4-6-8-16)13-14-20-17-11-9-15(18)10-12-17/h9-12,16H,2-8,13-14,18H2,1H3.
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine?
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine has a molecular weight of 276.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine is sourced from PubChem (CID 89350544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).