2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine

C18H30N2O — CID 62414680

IUPAC2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine
SMILESCCCOC1CCCN(C(CN)c2ccccc2CC)C1
InChIInChI=1S/C18H30N2O/c1-3-12-21-16-9-7-11-20(14-16)18(13-19)17-10-6-5-8-15(17)4-2/h5-6,8,10,16,18H,3-4,7,9,11-14,19H2,1-2H3
InChIKeyOJENSCXMGGMBCG-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.14
Rot. Bonds7

About 2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine

2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine (PubChem CID 62414680) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine
PubChem CID62414680
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine
SMILESCCCOC1CCCN(C(CN)c2ccccc2CC)C1
InChIInChI=1S/C18H30N2O/c1-3-12-21-16-9-7-11-20(14-16)18(13-19)17-10-6-5-8-15(17)4-2/h5-6,8,10,16,18H,3-4,7,9,11-14,19H2,1-2H3
InChIKeyOJENSCXMGGMBCG-UHFFFAOYSA-N
XLogP3.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
CID 62392801
4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
CID 62881276
2-(2-ethylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 55067304
2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537626
(2S)-2-phenyl-2-[(3R)-3-propoxypiperidin-1-yl]acetamide
CID 94215510
2-(2-ethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964789
2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 62392810
2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine
CID 79414354
2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
CID 102965278
2-(2-ethylphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62392807
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine
CID 62416646
2-(2-ethylphenyl)-2-morpholin-4-ylethanamine
CID 62392799

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine (CID 62414680) is 2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine is CCCOC1CCCN(C(CN)c2ccccc2CC)C1.
What is the InChIKey of 2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine?
The InChIKey is OJENSCXMGGMBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-12-21-16-9-7-11-20(14-16)18(13-19)17-10-6-5-8-15(17)4-2/h5-6,8,10,16,18H,3-4,7,9,11-14,19H2,1-2H3.
What are the key properties of 2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine?
2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 62414680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).