2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine

C17H28N2O — CID 62122834

IUPAC2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(N)CN1CCCC(C)C1C
InChIInChI=1S/C17H28N2O/c1-4-20-17-10-6-5-9-15(17)16(18)12-19-11-7-8-13(2)14(19)3/h5-6,9-10,13-14,16H,4,7-8,11-12,18H2,1-3H3
InChIKeyDHSFFCAYTAQLNB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.21
Rot. Bonds5

About 2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine

2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine (PubChem CID 62122834) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine
PubChem CID62122834
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(N)CN1CCCC(C)C1C
InChIInChI=1S/C17H28N2O/c1-4-20-17-10-6-5-9-15(17)16(18)12-19-11-7-8-13(2)14(19)3/h5-6,9-10,13-14,16H,4,7-8,11-12,18H2,1-3H3
InChIKeyDHSFFCAYTAQLNB-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882989
1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 107520774
1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 62988321
1-[2-amino-2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16783798
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62986560
1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452250
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
2-(2-ethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058265
1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 62124586
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine (CID 62122834) is 2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine is CCOc1ccccc1C(N)CN1CCCC(C)C1C.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine?
The InChIKey is DHSFFCAYTAQLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-20-17-10-6-5-9-15(17)16(18)12-19-11-7-8-13(2)14(19)3/h5-6,9-10,13-14,16H,4,7-8,11-12,18H2,1-3H3.
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine?
2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 62122834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).