2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine

C15H22ClFN2 — CID 81145379

IUPAC2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)CN(C(CN)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H22ClFN2/c1-10-5-11(2)9-19(8-10)15(7-18)12-3-4-14(17)13(16)6-12/h3-4,6,10-11,15H,5,7-9,18H2,1-2H3
InChIKeyATBJJTPBDBGVSP-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.46
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine

2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine (PubChem CID 81145379) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
PubChem CID81145379
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)CN(C(CN)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H22ClFN2/c1-10-5-11(2)9-19(8-10)15(7-18)12-3-4-14(17)13(16)6-12/h3-4,6,10-11,15H,5,7-9,18H2,1-2H3
InChIKeyATBJJTPBDBGVSP-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
CID 63645052
2-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 83230769
2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 114453224
2-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
CID 81144769
2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 81144547
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936
2-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 66155643
2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine
CID 81144771
2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 43081261
2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537191
2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531860

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine (CID 81145379) is 2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine is CC1CC(C)CN(C(CN)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is ATBJJTPBDBGVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-10-5-11(2)9-19(8-10)15(7-18)12-3-4-14(17)13(16)6-12/h3-4,6,10-11,15H,5,7-9,18H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 81145379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).