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

C18H30N2 — CID 62200913

IUPAC1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCN(CC(N)c2ccc(C)cc2C)CC1
InChIInChI=1S/C18H30N2/c1-4-5-16-8-10-20(11-9-16)13-18(19)17-7-6-14(2)12-15(17)3/h6-7,12,16,18H,4-5,8-11,13,19H2,1-3H3
InChIKeyHGRKJCJVXALARP-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.82
Rot. Bonds5

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

1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine (PubChem CID 62200913) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
PubChem CID62200913
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCN(CC(N)c2ccc(C)cc2C)CC1
InChIInChI=1S/C18H30N2/c1-4-5-16-8-10-20(11-9-16)13-18(19)17-7-6-14(2)12-15(17)3/h6-7,12,16,18H,4-5,8-11,13,19H2,1-3H3
InChIKeyHGRKJCJVXALARP-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
1-(3,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200555
1-(2,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562608
1-(4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 107520786
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 79937953
1-(2,4-dimethylphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882552
1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64569121
1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine
CID 43098495
2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 56771247
1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine
CID 63972298
2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62199615
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine (CID 62200913) is 1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine is CCCC1CCN(CC(N)c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine?
The InChIKey is HGRKJCJVXALARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-16-8-10-20(11-9-16)13-18(19)17-7-6-14(2)12-15(17)3/h6-7,12,16,18H,4-5,8-11,13,19H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine?
1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62200913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).