[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine

C17H28N2O2 — CID 61218601

IUPAC[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine
SMILESCCOC1CCN(CCCOc2ccccc2CN)CC1
InChIInChI=1S/C17H28N2O2/c1-2-20-16-8-11-19(12-9-16)10-5-13-21-17-7-4-3-6-15(17)14-18/h3-4,6-7,16H,2,5,8-14,18H2,1H3
InChIKeyLSNITRQXCHRADC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.42
Rot. Bonds8

About [2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine

[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine (PubChem CID 61218601) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine
PubChem CID61218601
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine
SMILESCCOC1CCN(CCCOc2ccccc2CN)CC1
InChIInChI=1S/C17H28N2O2/c1-2-20-16-8-11-19(12-9-16)10-5-13-21-17-7-4-3-6-15(17)14-18/h3-4,6-7,16H,2,5,8-14,18H2,1H3
InChIKeyLSNITRQXCHRADC-UHFFFAOYSA-N
XLogP2.42
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
CID 107274331
[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine
CID 43254199
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
CID 54882055
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
CID 84686072
[2-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propoxy]phenyl]methanamine
CID 82752031
3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856258
2-[2-(4-ethoxypiperidin-1-yl)ethoxy]ethanamine
CID 79478299
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359827
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99941786

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine?
The IUPAC name of [2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine (CID 61218601) is [2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for [2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine?
The canonical SMILES for [2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine is CCOC1CCN(CCCOc2ccccc2CN)CC1.
What is the InChIKey of [2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine?
The InChIKey is LSNITRQXCHRADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-20-16-8-11-19(12-9-16)10-5-13-21-17-7-4-3-6-15(17)14-18/h3-4,6-7,16H,2,5,8-14,18H2,1H3.
What are the key properties of [2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine?
[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine has a molecular weight of 292.42 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine is sourced from PubChem (CID 61218601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).