3-[(2,6-difluorophenyl)methyl]pentan-3-amine

C12H17F2N — CID 114931229

IUPAC3-[(2,6-difluorophenyl)methyl]pentan-3-amine
SMILESCCC(N)(CC)Cc1c(F)cccc1F
InChIInChI=1S/C12H17F2N/c1-3-12(15,4-2)8-9-10(13)6-5-7-11(9)14/h5-7H,3-4,8,15H2,1-2H3
InChIKeyLCJIIOVIEPILIJ-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.02
Rot. Bonds4

About 3-[(2,6-difluorophenyl)methyl]pentan-3-amine

3-[(2,6-difluorophenyl)methyl]pentan-3-amine (PubChem CID 114931229) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methyl]pentan-3-amine
PubChem CID114931229
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name3-[(2,6-difluorophenyl)methyl]pentan-3-amine
SMILESCCC(N)(CC)Cc1c(F)cccc1F
InChIInChI=1S/C12H17F2N/c1-3-12(15,4-2)8-9-10(13)6-5-7-11(9)14/h5-7H,3-4,8,15H2,1-2H3
InChIKeyLCJIIOVIEPILIJ-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methyl]heptan-3-amine
CID 65020419
1-(2,6-difluorophenyl)-2-methylbutan-2-ol
CID 114930976
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 114931152
1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996407
1-(2,6-difluorophenyl)-2-(2-methylphenyl)propan-2-amine
CID 114931214
1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine
CID 117288691
2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 114933584
1-(2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 114930994
2-[(2,6-difluorophenyl)methyl]-2-ethoxycarbonylbutanoic acid
CID 114935310
1-(2-chloro-3-fluorophenyl)-2-(methoxymethyl)butan-2-amine
CID 112653223
3-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112653213
1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine
CID 63408457

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methyl]pentan-3-amine?
The IUPAC name of 3-[(2,6-difluorophenyl)methyl]pentan-3-amine (CID 114931229) is 3-[(2,6-difluorophenyl)methyl]pentan-3-amine.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methyl]pentan-3-amine?
The canonical SMILES for 3-[(2,6-difluorophenyl)methyl]pentan-3-amine is CCC(N)(CC)Cc1c(F)cccc1F.
What is the InChIKey of 3-[(2,6-difluorophenyl)methyl]pentan-3-amine?
The InChIKey is LCJIIOVIEPILIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-12(15,4-2)8-9-10(13)6-5-7-11(9)14/h5-7H,3-4,8,15H2,1-2H3.
What are the key properties of 3-[(2,6-difluorophenyl)methyl]pentan-3-amine?
3-[(2,6-difluorophenyl)methyl]pentan-3-amine has a molecular weight of 213.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methyl]pentan-3-amine is sourced from PubChem (CID 114931229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).