2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine

C17H28N2O — CID 83973250

IUPAC2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
SMILESCCOc1cccc(C(CN)C2CCN(CC)CC2)c1
InChIInChI=1S/C17H28N2O/c1-3-19-10-8-14(9-11-19)17(13-18)15-6-5-7-16(12-15)20-4-2/h5-7,12,14,17H,3-4,8-11,13,18H2,1-2H3
InChIKeyLMKMBUBYKZYUAD-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.86
Rot. Bonds6

About 2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine

2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine (PubChem CID 83973250) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
PubChem CID83973250
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
SMILESCCOc1cccc(C(CN)C2CCN(CC)CC2)c1
InChIInChI=1S/C17H28N2O/c1-3-19-10-8-14(9-11-19)17(13-18)15-6-5-7-16(12-15)20-4-2/h5-7,12,14,17H,3-4,8-11,13,18H2,1-2H3
InChIKeyLMKMBUBYKZYUAD-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
2-(3-propoxyphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83973352
2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 83973600
3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
CID 117237900
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 65383474
N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 60873909
2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83974261
1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166417
2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine
CID 83973421

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine (CID 83973250) is 2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine is CCOc1cccc(C(CN)C2CCN(CC)CC2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine?
The InChIKey is LMKMBUBYKZYUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19-10-8-14(9-11-19)17(13-18)15-6-5-7-16(12-15)20-4-2/h5-7,12,14,17H,3-4,8-11,13,18H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine?
2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 83973250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).