2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine

C15H23ClFN3 — CID 103048909

IUPAC2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)C1CN(C)CCN1C
InChIInChI=1S/C15H23ClFN3/c1-18-14(15-10-19(2)6-7-20(15)3)9-11-8-12(16)4-5-13(11)17/h4-5,8,14-15,18H,6-7,9-10H2,1-3H3
InChIKeyBBDXUBKPBSJORB-UHFFFAOYSA-N
MW299.82 g/mol
LogP1.86
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine

2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (PubChem CID 103048909) has the molecular formula C15H23ClFN3 and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
PubChem CID103048909
Molecular FormulaC15H23ClFN3
Molecular Weight299.82 g/mol
Exact Mass299.16
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)C1CN(C)CCN1C
InChIInChI=1S/C15H23ClFN3/c1-18-14(15-10-19(2)6-7-20(15)3)9-11-8-12(16)4-5-13(11)17/h4-5,8,14-15,18H,6-7,9-10H2,1-3H3
InChIKeyBBDXUBKPBSJORB-UHFFFAOYSA-N
XLogP1.86
TPSA18.51 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444713
2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658598
[2-(2,5-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247218
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687
2-(2-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 115983959
2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658770
2-(3-chloro-4-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658432
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 103049066
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 79658844
2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79659510
2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 105406851
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658445

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (CID 103048909) is 2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1F)C1CN(C)CCN1C.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The InChIKey is BBDXUBKPBSJORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN3/c1-18-14(15-10-19(2)6-7-20(15)3)9-11-8-12(16)4-5-13(11)17/h4-5,8,14-15,18H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine has a molecular weight of 299.82 g/mol, XLogP of 1.86, 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)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is sourced from PubChem (CID 103048909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).