1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine

C17H28N2O — CID 107913183

IUPAC1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OCCC1CCCCN1C
InChIInChI=1S/C17H28N2O/c1-14(18)13-15-7-3-4-9-17(15)20-12-10-16-8-5-6-11-19(16)2/h3-4,7,9,14,16H,5-6,8,10-13,18H2,1-2H3
InChIKeyGRMBHJSEPRRSNF-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine

1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine (PubChem CID 107913183) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
PubChem CID107913183
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OCCC1CCCCN1C
InChIInChI=1S/C17H28N2O/c1-14(18)13-15-7-3-4-9-17(15)20-12-10-16-8-5-6-11-19(16)2/h3-4,7,9,14,16H,5-6,8,10-13,18H2,1-2H3
InChIKeyGRMBHJSEPRRSNF-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913197
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
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
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
CID 23339554
2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 23339385
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
CID 57497623
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912535

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine (CID 107913183) is 1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine is CC(N)Cc1ccccc1OCCC1CCCCN1C.
What is the InChIKey of 1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine?
The InChIKey is GRMBHJSEPRRSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(18)13-15-7-3-4-9-17(15)20-12-10-16-8-5-6-11-19(16)2/h3-4,7,9,14,16H,5-6,8,10-13,18H2,1-2H3.
What are the key properties of 1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine?
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 107913183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).