N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine

C17H25NO2 — CID 62583433

IUPACN-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine
SMILESCCOc1cccc(OCCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C17H25NO2/c1-2-19-15-4-3-5-16(12-15)20-11-10-18-17(13-6-7-13)14-8-9-14/h3-5,12-14,17-18H,2,6-11H2,1H3
InChIKeyXOUIEGJPBWTKRZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.24
Rot. Bonds9

About N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine

N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine (PubChem CID 62583433) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine
PubChem CID62583433
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine
SMILESCCOc1cccc(OCCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C17H25NO2/c1-2-19-15-4-3-5-16(12-15)20-11-10-18-17(13-6-7-13)14-8-9-14/h3-5,12-14,17-18H,2,6-11H2,1H3
InChIKeyXOUIEGJPBWTKRZ-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.24
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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Related Compounds

2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
CID 55024241
N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107170975
3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 2296967
1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
CID 55024132
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine
CID 55112761
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664
N-[3-(3-ethoxyphenoxy)propyl]aniline
CID 62584936
2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62583804

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine (CID 62583433) is N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine is CCOc1cccc(OCCNC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine?
The InChIKey is XOUIEGJPBWTKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-19-15-4-3-5-16(12-15)20-11-10-18-17(13-6-7-13)14-8-9-14/h3-5,12-14,17-18H,2,6-11H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine?
N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine is sourced from PubChem (CID 62583433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).