N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine

C13H19F2N3 — CID 83008977

IUPACN-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine
SMILESCC(NN1CCN(C)CC1)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2N3/c1-10(12-4-3-11(14)9-13(12)15)16-18-7-5-17(2)6-8-18/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyFOIGZJAUZULPGM-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.78
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine

N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine (PubChem CID 83008977) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine
PubChem CID83008977
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine
SMILESCC(NN1CCN(C)CC1)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2N3/c1-10(12-4-3-11(14)9-13(12)15)16-18-7-5-17(2)6-8-18/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyFOIGZJAUZULPGM-UHFFFAOYSA-N
XLogP1.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol
CID 83007049
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpiperazin-1-amine
CID 83069233
N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine
CID 83009968
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine
CID 80503148
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 82305573
(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 95291844
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55336980

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine (CID 83008977) is N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine is CC(NN1CCN(C)CC1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine?
The InChIKey is FOIGZJAUZULPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-10(12-4-3-11(14)9-13(12)15)16-18-7-5-17(2)6-8-18/h3-4,9-10,16H,5-8H2,1-2H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine?
N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine has a molecular weight of 255.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83008977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).