2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine

C17H28N2O — CID 43266464

IUPAC2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCC1CCCCN1CC(N)c1cc(C)ccc1OC
InChIInChI=1S/C17H28N2O/c1-4-14-7-5-6-10-19(14)12-16(18)15-11-13(2)8-9-17(15)20-3/h8-9,11,14,16H,4-7,10,12,18H2,1-3H3
InChIKeyADMSHXXIJPQDPC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.27
Rot. Bonds5

About 2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine

2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 43266464) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID43266464
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCC1CCCCN1CC(N)c1cc(C)ccc1OC
InChIInChI=1S/C17H28N2O/c1-4-14-7-5-6-10-19(14)12-16(18)15-11-13(2)8-9-17(15)20-3/h8-9,11,14,16H,4-7,10,12,18H2,1-3H3
InChIKeyADMSHXXIJPQDPC-UHFFFAOYSA-N
XLogP3.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine
CID 82214719
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65320598
1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882989
(1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95609211
2-(2-ethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058265
1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 107519852
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 783211
1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178956
1-(1-benzofuran-2-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266458
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 60872721

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 43266464) is 2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine is CCC1CCCCN1CC(N)c1cc(C)ccc1OC.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is ADMSHXXIJPQDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-14-7-5-6-10-19(14)12-16(18)15-11-13(2)8-9-17(15)20-3/h8-9,11,14,16H,4-7,10,12,18H2,1-3H3.
What are the key properties of 2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine?
2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 43266464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).