3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine

C11H17F2N3 — CID 115119850

IUPAC3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
SMILESCN(Cc1ccc(F)cc1F)CC(N)CN
InChIInChI=1S/C11H17F2N3/c1-16(7-10(15)5-14)6-8-2-3-9(12)4-11(8)13/h2-4,10H,5-7,14-15H2,1H3
InChIKeyXRISLJGLUIERGR-UHFFFAOYSA-N
MW229.27 g/mol
LogP0.68
Rot. Bonds5

About 3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine

3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine (PubChem CID 115119850) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
PubChem CID115119850
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
SMILESCN(Cc1ccc(F)cc1F)CC(N)CN
InChIInChI=1S/C11H17F2N3/c1-16(7-10(15)5-14)6-8-2-3-9(12)4-11(8)13/h2-4,10H,5-7,14-15H2,1H3
InChIKeyXRISLJGLUIERGR-UHFFFAOYSA-N
XLogP0.68
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 115241759
3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119872
3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976
1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519950
[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252142
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420
N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645329
1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol
CID 111977227
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol
CID 117039211
3-N-[(4-ethoxy-3-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119848

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine?
The IUPAC name of 3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine (CID 115119850) is 3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine.
What is the SMILES notation for 3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine?
The canonical SMILES for 3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine is CN(Cc1ccc(F)cc1F)CC(N)CN.
What is the InChIKey of 3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine?
The InChIKey is XRISLJGLUIERGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-16(7-10(15)5-14)6-8-2-3-9(12)4-11(8)13/h2-4,10H,5-7,14-15H2,1H3.
What are the key properties of 3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine?
3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine has a molecular weight of 229.27 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine is sourced from PubChem (CID 115119850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).