2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline

C13H19F2N3 — CID 82890129

IUPAC2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESCN1CCN(CCNc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H19F2N3/c1-17-6-8-18(9-7-17)5-4-16-13-3-2-11(14)10-12(13)15/h2-3,10,16H,4-9H2,1H3
InChIKeyHGRBGASYDOHCPG-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.62
Rot. Bonds4

About 2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline

2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline (PubChem CID 82890129) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
PubChem CID82890129
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESCN1CCN(CCNc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H19F2N3/c1-17-6-8-18(9-7-17)5-4-16-13-3-2-11(14)10-12(13)15/h2-3,10,16H,4-9H2,1H3
InChIKeyHGRBGASYDOHCPG-UHFFFAOYSA-N
XLogP1.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889283
2,3,5-trifluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889889
5-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-nitroaniline
CID 62376423
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)aniline
CID 82886090
4-chloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 107634893
3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82888949
4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine
CID 62377830
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62573377
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658
3-fluoro-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889797

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline (CID 82890129) is 2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline is CN1CCN(CCNc2ccc(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The InChIKey is HGRBGASYDOHCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-17-6-8-18(9-7-17)5-4-16-13-3-2-11(14)10-12(13)15/h2-3,10,16H,4-9H2,1H3.
What are the key properties of 2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline has a molecular weight of 255.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 82890129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).