N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine

C13H19F2N3 — CID 115238371

IUPACN-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine
SMILESCN1CCNCC1CNCc1ccc(F)cc1F
InChIInChI=1S/C13H19F2N3/c1-18-5-4-16-8-12(18)9-17-7-10-2-3-11(14)6-13(10)15/h2-3,6,12,16-17H,4-5,7-9H2,1H3
InChIKeyQCHHTQZLIRCDKP-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.96
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine

N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine (PubChem CID 115238371) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine
PubChem CID115238371
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine
SMILESCN1CCNCC1CNCc1ccc(F)cc1F
InChIInChI=1S/C13H19F2N3/c1-18-5-4-16-8-12(18)9-17-7-10-2-3-11(14)6-13(10)15/h2-3,6,12,16-17H,4-5,7-9H2,1H3
InChIKeyQCHHTQZLIRCDKP-UHFFFAOYSA-N
XLogP0.96
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 115238453
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106638289
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 114138263
1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64833925
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352064
2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64833733
2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64846833
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine (CID 115238371) is N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine is CN1CCNCC1CNCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine?
The InChIKey is QCHHTQZLIRCDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-18-5-4-16-8-12(18)9-17-7-10-2-3-11(14)6-13(10)15/h2-3,6,12,16-17H,4-5,7-9H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine?
N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine has a molecular weight of 255.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 115238371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).