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

C11H15F2N — CID 43177297

IUPACN-[(2,6-difluorophenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1c(F)cccc1F
InChIInChI=1S/C11H15F2N/c1-3-8(2)14-7-9-10(12)5-4-6-11(9)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyQOPZQNPAOWMDCG-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.85
Rot. Bonds4

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

N-[(2,6-difluorophenyl)methyl]butan-2-amine (PubChem CID 43177297) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]butan-2-amine
PubChem CID43177297
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC NameN-[(2,6-difluorophenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1c(F)cccc1F
InChIInChI=1S/C11H15F2N/c1-3-8(2)14-7-9-10(12)5-4-6-11(9)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyQOPZQNPAOWMDCG-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727
(2R)-2-N-[(2,6-difluorophenyl)methyl]propane-1,2-diamine
CID 104868138
N-[(2,6-difluoro-3-methylphenyl)methyl]butan-2-amine
CID 82814305
4-chloro-N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 114934206
(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
CID 777013
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine
CID 64602570
N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine
CID 114415538
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
1-bromo-N-[(2,6-difluorophenyl)methyl]pentan-3-amine
CID 114934223
1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine
CID 115728904

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]butan-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]butan-2-amine (CID 43177297) is N-[(2,6-difluorophenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]butan-2-amine is CCC(C)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]butan-2-amine?
The InChIKey is QOPZQNPAOWMDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-8(2)14-7-9-10(12)5-4-6-11(9)13/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]butan-2-amine?
N-[(2,6-difluorophenyl)methyl]butan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.85, 4 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]butan-2-amine is sourced from PubChem (CID 43177297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).