2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine

C17H28N2 — CID 116825043

IUPAC2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine
SMILESCc1ccc(C(CN)C2CCN(C)CC2)c(C)c1C
InChIInChI=1S/C17H28N2/c1-12-5-6-16(14(3)13(12)2)17(11-18)15-7-9-19(4)10-8-15/h5-6,15,17H,7-11,18H2,1-4H3
InChIKeyAZBZDSXINNJRDF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.00
Rot. Bonds3

About 2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine

2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine (PubChem CID 116825043) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine
PubChem CID116825043
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine
SMILESCc1ccc(C(CN)C2CCN(C)CC2)c(C)c1C
InChIInChI=1S/C17H28N2/c1-12-5-6-16(14(3)13(12)2)17(11-18)15-7-9-19(4)10-8-15/h5-6,15,17H,7-11,18H2,1-4H3
InChIKeyAZBZDSXINNJRDF-UHFFFAOYSA-N
XLogP3.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 83974398
2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83972813
2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83974261
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
2-cyclopropyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 82282694
2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 83972701
2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
CID 83824559
2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 83972711
3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116937424
2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine
CID 116941716
2-(2,4-dimethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83973119
2-(2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
CID 83974409

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine (CID 116825043) is 2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine is Cc1ccc(C(CN)C2CCN(C)CC2)c(C)c1C.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine?
The InChIKey is AZBZDSXINNJRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-5-6-16(14(3)13(12)2)17(11-18)15-7-9-19(4)10-8-15/h5-6,15,17H,7-11,18H2,1-4H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine?
2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine is sourced from PubChem (CID 116825043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).