2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine

C16H26N2 — CID 43584428

IUPAC2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCCC1CCCN(CC(N)c2ccccc2C)C1
InChIInChI=1S/C16H26N2/c1-3-14-8-6-10-18(11-14)12-16(17)15-9-5-4-7-13(15)2/h4-5,7,9,14,16H,3,6,8,10-12,17H2,1-2H3
InChIKeyCWDRLQUCPYFLJQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds4

About 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine

2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine (PubChem CID 43584428) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
PubChem CID43584428
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCCC1CCCN(CC(N)c2ccccc2C)C1
InChIInChI=1S/C16H26N2/c1-3-14-8-6-10-18(11-14)12-16(17)15-9-5-4-7-13(15)2/h4-5,7,9,14,16H,3,6,8,10-12,17H2,1-2H3
InChIKeyCWDRLQUCPYFLJQ-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine
CID 115559657
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine
CID 63611043
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 16795154
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
2-(4-ethylpiperidin-1-yl)-1-naphthalen-1-ylethanamine
CID 61420704
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone
CID 43797125
3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile
CID 64536940
1-(2-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965644
1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
CID 114929756

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine (CID 43584428) is 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine is CCC1CCCN(CC(N)c2ccccc2C)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine?
The InChIKey is CWDRLQUCPYFLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14-8-6-10-18(11-14)12-16(17)15-9-5-4-7-13(15)2/h4-5,7,9,14,16H,3,6,8,10-12,17H2,1-2H3.
What are the key properties of 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine?
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 43584428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).