2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine

C15H23ClFN3 — CID 114843183

IUPAC2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCC1CN(C(CN)c2cc(Cl)ccc2F)CCN1C
InChIInChI=1S/C15H23ClFN3/c1-3-12-10-20(7-6-19(12)2)15(9-18)13-8-11(16)4-5-14(13)17/h4-5,8,12,15H,3,6-7,9-10,18H2,1-2H3
InChIKeyVNCIIUWOYOQNRM-UHFFFAOYSA-N
MW299.82 g/mol
LogP2.50
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine

2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine (PubChem CID 114843183) has the molecular formula C15H23ClFN3 and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
PubChem CID114843183
Molecular FormulaC15H23ClFN3
Molecular Weight299.82 g/mol
Exact Mass299.16
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCC1CN(C(CN)c2cc(Cl)ccc2F)CCN1C
InChIInChI=1S/C15H23ClFN3/c1-3-12-10-20(7-6-19(12)2)15(9-18)13-8-11(16)4-5-14(13)17/h4-5,8,12,15H,3,6-7,9-10,18H2,1-2H3
InChIKeyVNCIIUWOYOQNRM-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-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993
2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63608922
2-(5-chloro-2-fluorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 114843181
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979822
2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 114843214
2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
CID 114843385
2-(1,5-dimethylpyrazol-4-yl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 79584620
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
CID 63605560
2-(3,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979576
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine (CID 114843183) is 2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine is CCC1CN(C(CN)c2cc(Cl)ccc2F)CCN1C.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The InChIKey is VNCIIUWOYOQNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN3/c1-3-12-10-20(7-6-19(12)2)15(9-18)13-8-11(16)4-5-14(13)17/h4-5,8,12,15H,3,6-7,9-10,18H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-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-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 114843183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).