2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine

C15H22Cl2N2 — CID 62330318

IUPAC2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2ccc(Cl)c(Cl)c2)C(C)C1
InChIInChI=1S/C15H22Cl2N2/c1-10-5-6-19(11(2)7-10)15(9-18)12-3-4-13(16)14(17)8-12/h3-4,8,10-11,15H,5-7,9,18H2,1-2H3
InChIKeyPNNJHZVYUHYKTL-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.11
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine

2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine (PubChem CID 62330318) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
PubChem CID62330318
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2ccc(Cl)c(Cl)c2)C(C)C1
InChIInChI=1S/C15H22Cl2N2/c1-10-5-6-19(11(2)7-10)15(9-18)12-3-4-13(16)14(17)8-12/h3-4,8,10-11,15H,5-7,9,18H2,1-2H3
InChIKeyPNNJHZVYUHYKTL-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine (CID 62330318) is 2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine is CC1CCN(C(CN)c2ccc(Cl)c(Cl)c2)C(C)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is PNNJHZVYUHYKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-10-5-6-19(11(2)7-10)15(9-18)12-3-4-13(16)14(17)8-12/h3-4,8,10-11,15H,5-7,9,18H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine?
2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 301.26 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62330318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).