2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine

C15H22ClFN2 — CID 62124067

IUPAC2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2ccc(Cl)c(F)c2)C1C
InChIInChI=1S/C15H22ClFN2/c1-10-4-3-7-19(11(10)2)15(9-18)12-5-6-13(16)14(17)8-12/h5-6,8,10-11,15H,3-4,7,9,18H2,1-2H3
InChIKeyYLTAZBWEYBPXTQ-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.60
Rot. Bonds3

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

2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine (PubChem CID 62124067) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
PubChem CID62124067
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2ccc(Cl)c(F)c2)C1C
InChIInChI=1S/C15H22ClFN2/c1-10-4-3-7-19(11(10)2)15(9-18)12-5-6-13(16)14(17)8-12/h5-6,8,10-11,15H,3-4,7,9,18H2,1-2H3
InChIKeyYLTAZBWEYBPXTQ-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine (CID 62124067) is 2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine is CC1CCCN(C(CN)c2ccc(Cl)c(F)c2)C1C.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is YLTAZBWEYBPXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-10-4-3-7-19(11(10)2)15(9-18)12-5-6-13(16)14(17)8-12/h5-6,8,10-11,15H,3-4,7,9,18H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62124067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).