2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine

C15H23ClFN3 — CID 114487782

IUPAC2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(C(CN)c2cccc(Cl)c2F)CC1
InChIInChI=1S/C15H23ClFN3/c1-11(2)19-6-8-20(9-7-19)14(10-18)12-4-3-5-13(16)15(12)17/h3-5,11,14H,6-10,18H2,1-2H3
InChIKeyJDCYWIFLCPAGDY-UHFFFAOYSA-N
MW299.82 g/mol
LogP2.50
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine

2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (PubChem CID 114487782) has the molecular formula C15H23ClFN3 and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
PubChem CID114487782
Molecular FormulaC15H23ClFN3
Molecular Weight299.82 g/mol
Exact Mass299.16
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(C(CN)c2cccc(Cl)c2F)CC1
InChIInChI=1S/C15H23ClFN3/c1-11(2)19-6-8-20(9-7-19)14(10-18)12-4-3-5-13(16)15(12)17/h3-5,11,14H,6-10,18H2,1-2H3
InChIKeyJDCYWIFLCPAGDY-UHFFFAOYSA-N
XLogP2.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 114487946
2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine
CID 114487997
2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585100
2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585183
2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 114487916
2-(3-chloro-2-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 114487914
2-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 114487903
2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62778142
2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine
CID 61429571
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine
CID 63668255
2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
CID 63052102
2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 63668083

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (CID 114487782) is 2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is CC(C)N1CCN(C(CN)c2cccc(Cl)c2F)CC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is JDCYWIFLCPAGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN3/c1-11(2)19-6-8-20(9-7-19)14(10-18)12-4-3-5-13(16)15(12)17/h3-5,11,14H,6-10,18H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 299.82 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 114487782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).