[2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine

C15H23F2N3 — CID 107932907

IUPAC[2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine
SMILESCC(C)CN1CCN(c2ccc(CN)c(F)c2F)CC1
InChIInChI=1S/C15H23F2N3/c1-11(2)10-19-5-7-20(8-6-19)13-4-3-12(9-18)14(16)15(13)17/h3-4,11H,5-10,18H2,1-2H3
InChIKeyLGXASCHTTHFRBT-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.20
Rot. Bonds4

About [2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine

[2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine (PubChem CID 107932907) has the molecular formula C15H23F2N3 and a molecular weight of 283.37 g/mol. Its IUPAC name is [2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine
PubChem CID107932907
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name[2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine
SMILESCC(C)CN1CCN(c2ccc(CN)c(F)c2F)CC1
InChIInChI=1S/C15H23F2N3/c1-11(2)10-19-5-7-20(8-6-19)13-4-3-12(9-18)14(16)15(13)17/h3-4,11H,5-10,18H2,1-2H3
InChIKeyLGXASCHTTHFRBT-UHFFFAOYSA-N
XLogP2.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine?
The IUPAC name of [2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine (CID 107932907) is [2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine.
What is the SMILES notation for [2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine?
The canonical SMILES for [2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine is CC(C)CN1CCN(c2ccc(CN)c(F)c2F)CC1.
What is the InChIKey of [2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine?
The InChIKey is LGXASCHTTHFRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-11(2)10-19-5-7-20(8-6-19)13-4-3-12(9-18)14(16)15(13)17/h3-4,11H,5-10,18H2,1-2H3.
What are the key properties of [2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine?
[2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine has a molecular weight of 283.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methanamine is sourced from PubChem (CID 107932907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).