N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine

C17H28N2O — CID 63059153

IUPACN-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCCC1CCCN(c2ccccc2CNCCOC)C1
InChIInChI=1S/C17H28N2O/c1-3-15-7-6-11-19(14-15)17-9-5-4-8-16(17)13-18-10-12-20-2/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3
InChIKeyUJCKAYKYCZFMAW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds7

About N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine

N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63059153) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
PubChem CID63059153
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCCC1CCCN(c2ccccc2CNCCOC)C1
InChIInChI=1S/C17H28N2O/c1-3-15-7-6-11-19(14-15)17-9-5-4-8-16(17)13-18-10-12-20-2/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3
InChIKeyUJCKAYKYCZFMAW-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
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

N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]-2-methoxyethanamine
CID 79929020
N-[[2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059146
[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058978
N-[[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114853476
N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 102961556
N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058738
2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol
CID 63058807
2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43778380
2-methoxy-N-[[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63635351
N-[[4-ethyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62768502
N-[[2-(2,2-dimethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63060233

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine (CID 63059153) is N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine is CCC1CCCN(c2ccccc2CNCCOC)C1.
What is the InChIKey of N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is UJCKAYKYCZFMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-15-7-6-11-19(14-15)17-9-5-4-8-16(17)13-18-10-12-20-2/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3.
What are the key properties of N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63059153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).