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

C17H28N2O2 — CID 102965538

IUPACN-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCCNC(CN1CCCC(OC)C1)c1cccc(OC)c1
InChIInChI=1S/C17H28N2O2/c1-4-18-17(14-7-5-8-15(11-14)20-2)13-19-10-6-9-16(12-19)21-3/h5,7-8,11,16-18H,4,6,9-10,12-13H2,1-3H3
InChIKeyAEXRSRUDZULPIH-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.46
Rot. Bonds7

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

N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine (PubChem CID 102965538) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
PubChem CID102965538
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCCNC(CN1CCCC(OC)C1)c1cccc(OC)c1
InChIInChI=1S/C17H28N2O2/c1-4-18-17(14-7-5-8-15(11-14)20-2)13-19-10-6-9-16(12-19)21-3/h5,7-8,11,16-18H,4,6,9-10,12-13H2,1-3H3
InChIKeyAEXRSRUDZULPIH-UHFFFAOYSA-N
XLogP2.46
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965565
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
2-(3-methoxypiperidin-1-yl)-N-methyl-1-phenylethanamine
CID 102965612
1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103538970
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967285
1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102967425
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 61171340
1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one
CID 63103726

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine (CID 102965538) is N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine is CCNC(CN1CCCC(OC)C1)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The InChIKey is AEXRSRUDZULPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-18-17(14-7-5-8-15(11-14)20-2)13-19-10-6-9-16(12-19)21-3/h5,7-8,11,16-18H,4,6,9-10,12-13H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 102965538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).