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

C12H17F2N — CID 43177727

IUPACN-[(2,6-difluorophenyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1c(F)cccc1F
InChIInChI=1S/C12H17F2N/c1-3-5-9(2)15-8-10-11(13)6-4-7-12(10)14/h4,6-7,9,15H,3,5,8H2,1-2H3
InChIKeyOZUPGQRNVGQERT-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.24
Rot. Bonds5

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

N-[(2,6-difluorophenyl)methyl]pentan-2-amine (PubChem CID 43177727) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]pentan-2-amine
PubChem CID43177727
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC NameN-[(2,6-difluorophenyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1c(F)cccc1F
InChIInChI=1S/C12H17F2N/c1-3-5-9(2)15-8-10-11(13)6-4-7-12(10)14/h4,6-7,9,15H,3,5,8H2,1-2H3
InChIKeyOZUPGQRNVGQERT-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
4-chloro-N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 114934206
N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine
CID 64602570
(2R)-2-N-[(2,6-difluorophenyl)methyl]propane-1,2-diamine
CID 104868138
N-[(2,6-difluorophenyl)methyl]octan-4-amine
CID 106023231
(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
CID 777013
N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine
CID 115895270
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
CID 146174762
2-N-[(2-bromo-6-fluorophenyl)methyl]-1-N-propylpropane-1,2-diamine
CID 114559167

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]pentan-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]pentan-2-amine (CID 43177727) is N-[(2,6-difluorophenyl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]pentan-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]pentan-2-amine is CCCC(C)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]pentan-2-amine?
The InChIKey is OZUPGQRNVGQERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-5-9(2)15-8-10-11(13)6-4-7-12(10)14/h4,6-7,9,15H,3,5,8H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]pentan-2-amine?
N-[(2,6-difluorophenyl)methyl]pentan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]pentan-2-amine is sourced from PubChem (CID 43177727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).