2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

C18H30N2 — CID 114592527

IUPAC2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCCc1ccc(C(CN)N2CC(C)CC(C)C2C)cc1
InChIInChI=1S/C18H30N2/c1-5-16-6-8-17(9-7-16)18(11-19)20-12-13(2)10-14(3)15(20)4/h6-9,13-15,18H,5,10-12,19H2,1-4H3
InChIKeyLDZSWLDCIVIQJK-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (PubChem CID 114592527) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
PubChem CID114592527
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCCc1ccc(C(CN)N2CC(C)CC(C)C2C)cc1
InChIInChI=1S/C18H30N2/c1-5-16-6-8-17(9-7-16)18(11-19)20-12-13(2)10-14(3)15(20)4/h6-9,13-15,18H,5,10-12,19H2,1-4H3
InChIKeyLDZSWLDCIVIQJK-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
CID 114596237
2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592477
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592634
2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592602
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine
CID 83227168
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936
2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 43081261
2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine
CID 79187944
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 55040419
(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine
CID 59545269

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (CID 114592527) is 2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is CCc1ccc(C(CN)N2CC(C)CC(C)C2C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The InChIKey is LDZSWLDCIVIQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-16-6-8-17(9-7-16)18(11-19)20-12-13(2)10-14(3)15(20)4/h6-9,13-15,18H,5,10-12,19H2,1-4H3.
What are the key properties of 2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 114592527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).