N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine

C17H28N2O — CID 70565355

IUPACN-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)C1CCCCN1C
InChIInChI=1S/C17H28N2O/c1-4-18-16(17-10-5-6-11-19(17)2)13-14-8-7-9-15(12-14)20-3/h7-9,12,16-18H,4-6,10-11,13H2,1-3H3
InChIKeyRGGNGCMEYTVGJL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.70
Rot. Bonds6

About N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine

N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 70565355) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
PubChem CID70565355
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)C1CCCCN1C
InChIInChI=1S/C17H28N2O/c1-4-18-16(17-10-5-6-11-19(17)2)13-14-8-7-9-15(12-14)20-3/h7-9,12,16-18H,4-6,10-11,13H2,1-3H3
InChIKeyRGGNGCMEYTVGJL-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-butoxyphenyl)-N-methyl-1-(1-methylpiperidin-2-yl)ethanamine
CID 70565270
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61365344
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295382
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 95342192
1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 63913879
N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473
N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine
CID 155178982

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine (CID 70565355) is N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine is CCNC(Cc1cccc(OC)c1)C1CCCCN1C.
What is the InChIKey of N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is RGGNGCMEYTVGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-16(17-10-5-6-11-19(17)2)13-14-8-7-9-15(12-14)20-3/h7-9,12,16-18H,4-6,10-11,13H2,1-3H3.
What are the key properties of N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine?
N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 70565355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).