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

C15H22ClFN2 — CID 114453224

IUPAC2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)CN(C(CN)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C15H22ClFN2/c1-10-3-11(2)9-19(8-10)15(7-18)12-4-13(16)6-14(17)5-12/h4-6,10-11,15H,3,7-9,18H2,1-2H3
InChIKeyVRJBLAWXQFCJTJ-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.46
Rot. Bonds3

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

2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine (PubChem CID 114453224) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
PubChem CID114453224
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)CN(C(CN)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C15H22ClFN2/c1-10-3-11(2)9-19(8-10)15(7-18)12-4-13(16)6-14(17)5-12/h4-6,10-11,15H,3,7-9,18H2,1-2H3
InChIKeyVRJBLAWXQFCJTJ-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine (CID 114453224) is 2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine is CC1CC(C)CN(C(CN)c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is VRJBLAWXQFCJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-10-3-11(2)9-19(8-10)15(7-18)12-4-13(16)6-14(17)5-12/h4-6,10-11,15H,3,7-9,18H2,1-2H3.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
2-(3-chloro-5-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-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 114453224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).