N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine

C17H28N2O — CID 84754215

IUPACN-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCCCC2CC)c(OC)c1
InChIInChI=1S/C17H28N2O/c1-4-15-8-6-7-11-19(15)16-10-9-14(13-18-5-2)12-17(16)20-3/h9-10,12,15,18H,4-8,11,13H2,1-3H3
InChIKeyHAYSUNSHECSICL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.57
Rot. Bonds6

About N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine

N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine (PubChem CID 84754215) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine
PubChem CID84754215
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCCCC2CC)c(OC)c1
InChIInChI=1S/C17H28N2O/c1-4-15-8-6-7-11-19(15)16-10-9-14(13-18-5-2)12-17(16)20-3/h9-10,12,15,18H,4-8,11,13H2,1-3H3
InChIKeyHAYSUNSHECSICL-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 55040407
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 43281717
N-[[3-chloro-4-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690830
[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol
CID 62121883
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112862577
N-[[4-(2-ethylazepan-1-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 104690768
N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81152195
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059703
[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol
CID 62121881
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060904
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109173883

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine (CID 84754215) is N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine is CCNCc1ccc(N2CCCCC2CC)c(OC)c1.
What is the InChIKey of N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine?
The InChIKey is HAYSUNSHECSICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-15-8-6-7-11-19(15)16-10-9-14(13-18-5-2)12-17(16)20-3/h9-10,12,15,18H,4-8,11,13H2,1-3H3.
What are the key properties of N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine?
N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 84754215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).