2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine

C14H21ClFN3 — CID 22692556

IUPAC2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCNCC(c1c(F)cccc1Cl)N1CCN(C)CC1
InChIInChI=1S/C14H21ClFN3/c1-17-10-13(19-8-6-18(2)7-9-19)14-11(15)4-3-5-12(14)16/h3-5,13,17H,6-10H2,1-2H3
InChIKeyPDVAUUMJGZRZTQ-UHFFFAOYSA-N
MW285.79 g/mol
LogP1.99
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 22692556) has the molecular formula C14H21ClFN3 and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID22692556
Molecular FormulaC14H21ClFN3
Molecular Weight285.79 g/mol
Exact Mass285.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCNCC(c1c(F)cccc1Cl)N1CCN(C)CC1
InChIInChI=1S/C14H21ClFN3/c1-17-10-13(19-8-6-18(2)7-9-19)14-11(15)4-3-5-12(14)16/h3-5,13,17H,6-10H2,1-2H3
InChIKeyPDVAUUMJGZRZTQ-UHFFFAOYSA-N
XLogP1.99
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692567
2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110623998
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112539561
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
CID 60568452
2-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111054485
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-cyclopropylpropanamide
CID 110623996
3-[[(1R)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 100683786
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]cyclopentanesulfonamide
CID 110304294
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 47030334
1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-prop-2-ynylguanidine
CID 119149060
2-(2-chloro-6-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 65283784

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine (CID 22692556) is 2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine is CNCC(c1c(F)cccc1Cl)N1CCN(C)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is PDVAUUMJGZRZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3/c1-17-10-13(19-8-6-18(2)7-9-19)14-11(15)4-3-5-12(14)16/h3-5,13,17H,6-10H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 285.79 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 22692556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).