2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine

C18H30N2 — CID 62199615

IUPAC2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCN(C(CN)c2cc(C)ccc2C)CC1
InChIInChI=1S/C18H30N2/c1-4-5-16-8-10-20(11-9-16)18(13-19)17-12-14(2)6-7-15(17)3/h6-7,12,16,18H,4-5,8-11,13,19H2,1-3H3
InChIKeyWTWUSWISLNLXPK-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.82
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine

2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine (PubChem CID 62199615) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
PubChem CID62199615
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCN(C(CN)c2cc(C)ccc2C)CC1
InChIInChI=1S/C18H30N2/c1-4-5-16-8-10-20(11-9-16)18(13-19)17-12-14(2)6-7-15(17)3/h6-7,12,16,18H,4-5,8-11,13,19H2,1-3H3
InChIKeyWTWUSWISLNLXPK-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

2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64568698
2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine
CID 54977844
2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494712
2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54978141
2-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 55050220
2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 54977741
2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62198718
1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200913
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(2,5-dimethylphenyl)ethanamine
CID 102725788
2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 81144547
2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
CID 114843397
1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 43130891

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine (CID 62199615) is 2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine is CCCC1CCN(C(CN)c2cc(C)ccc2C)CC1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine?
The InChIKey is WTWUSWISLNLXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-16-8-10-20(11-9-16)18(13-19)17-12-14(2)6-7-15(17)3/h6-7,12,16,18H,4-5,8-11,13,19H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine?
2-(2,5-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 2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62199615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).