N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine

C17H28N2O — CID 107911038

IUPACN-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCC1CCCCN1C
InChIInChI=1S/C17H28N2O/c1-3-18-14-15-8-4-5-10-17(15)20-13-11-16-9-6-7-12-19(16)2/h4-5,8,10,16,18H,3,6-7,9,11-14H2,1-2H3
InChIKeyGYKAQPHEPCGIPN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds7

About N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine

N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 107911038) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID107911038
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCC1CCCCN1C
InChIInChI=1S/C17H28N2O/c1-3-18-14-15-8-4-5-10-17(15)20-13-11-16-9-6-7-12-19(16)2/h4-5,8,10,16,18H,3,6-7,9,11-14H2,1-2H3
InChIKeyGYKAQPHEPCGIPN-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

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Related Compounds

N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911151
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 105075391
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 107911121
1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
CID 57497614
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 23339385
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
CID 57497623
2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912535

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine (CID 107911038) is N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccccc1OCCC1CCCCN1C.
What is the InChIKey of N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is GYKAQPHEPCGIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-18-14-15-8-4-5-10-17(15)20-13-11-16-9-6-7-12-19(16)2/h4-5,8,10,16,18H,3,6-7,9,11-14H2,1-2H3.
What are the key properties of N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine 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-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 107911038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).