2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine

C18H30N2 — CID 83972813

IUPAC2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(CN)c2ccc(C)cc2C)CC1
InChIInChI=1S/C18H30N2/c1-4-9-20-10-7-16(8-11-20)18(13-19)17-6-5-14(2)12-15(17)3/h5-6,12,16,18H,4,7-11,13,19H2,1-3H3
InChIKeyUDFPUSNRHBOXST-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.47
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine

2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine (PubChem CID 83972813) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
PubChem CID83972813
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(CN)c2ccc(C)cc2C)CC1
InChIInChI=1S/C18H30N2/c1-4-9-20-10-7-16(8-11-20)18(13-19)17-6-5-14(2)12-15(17)3/h5-6,12,16,18H,4,7-11,13,19H2,1-3H3
InChIKeyUDFPUSNRHBOXST-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83974261
3-cyclopropyl-3-(2,4-dimethylphenyl)propan-1-amine
CID 82076833
2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494712
2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine
CID 116825043
2-(1-propylpiperidin-4-yl)-2-pyridin-2-ylethanamine
CID 83975803
2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
CID 83824559
2-cyclopropyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 82282694
2-(3-propoxyphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83973352
2-(2,4-dimethylphenyl)-2-piperidin-2-ylethanamine
CID 83986431
2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 83972711
1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200913
2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83976007

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine (CID 83972813) is 2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine is CCCN1CCC(C(CN)c2ccc(C)cc2C)CC1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine?
The InChIKey is UDFPUSNRHBOXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-9-20-10-7-16(8-11-20)18(13-19)17-6-5-14(2)12-15(17)3/h5-6,12,16,18H,4,7-11,13,19H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine?
2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 83972813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).