2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine

C12H17F2N — CID 114933384

IUPAC2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine
SMILESCCC(CNC)Cc1c(F)cccc1F
InChIInChI=1S/C12H17F2N/c1-3-9(8-15-2)7-10-11(13)5-4-6-12(10)14/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyALUIPPGPTDLQTB-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.75
Rot. Bonds5

About 2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine

2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine (PubChem CID 114933384) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine
PubChem CID114933384
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine
SMILESCCC(CNC)Cc1c(F)cccc1F
InChIInChI=1S/C12H17F2N/c1-3-9(8-15-2)7-10-11(13)5-4-6-12(10)14/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyALUIPPGPTDLQTB-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(chloromethyl)butyl]-1,3-difluorobenzene
CID 114934894
3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 114933725
2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62514397
2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine
CID 62529664
2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 114933368
2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 114933374
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
CID 116931795
2-(furan-2-ylmethyl)-N-methylbutan-1-amine
CID 62998864
N-methyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-amine
CID 116931850
[1-(2,6-difluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105323976

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine (CID 114933384) is 2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine is CCC(CNC)Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine?
The InChIKey is ALUIPPGPTDLQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-9(8-15-2)7-10-11(13)5-4-6-12(10)14/h4-6,9,15H,3,7-8H2,1-2H3.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine?
2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 114933384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).