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

C16H26N2 — CID 43584386

IUPAC2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
SMILESCCC1CCCN(C(CN)c2cccc(C)c2)C1
InChIInChI=1S/C16H26N2/c1-3-14-7-5-9-18(12-14)16(11-17)15-8-4-6-13(2)10-15/h4,6,8,10,14,16H,3,5,7,9,11-12,17H2,1-2H3
InChIKeyFDPZKJNVAVKBFY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds4

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

2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 43584386) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
PubChem CID43584386
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
SMILESCCC1CCCN(C(CN)c2cccc(C)c2)C1
InChIInChI=1S/C16H26N2/c1-3-14-7-5-9-18(12-14)16(11-17)15-8-4-6-13(2)10-15/h4,6,8,10,14,16H,3,5,7,9,11-12,17H2,1-2H3
InChIKeyFDPZKJNVAVKBFY-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-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 113416955
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
CID 63605560
2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584359
1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
CID 114677976
1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194646
2-(2-ethylmorpholin-4-yl)-2-(3-methylphenyl)ethanamine
CID 43562475
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
2-(4-ethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584286
2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 61036698
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
CID 61440628
2-(3-ethylpiperidin-1-yl)-2-(furan-2-yl)ethanamine
CID 43584299

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine (CID 43584386) is 2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine is CCC1CCCN(C(CN)c2cccc(C)c2)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is FDPZKJNVAVKBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14-7-5-9-18(12-14)16(11-17)15-8-4-6-13(2)10-15/h4,6,8,10,14,16H,3,5,7,9,11-12,17H2,1-2H3.
What are the key properties of 2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine?
2-(3-ethylpiperidin-1-yl)-2-(3-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)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 43584386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).