N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine

C12H17F2NO — CID 64602570

IUPACN-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c1-9(6-7-16-2)15-8-10-11(13)4-3-5-12(10)14/h3-5,9,15H,6-8H2,1-2H3
InChIKeyXNPPLDVDVLPMMP-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.48
Rot. Bonds6

About N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine

N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine (PubChem CID 64602570) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine
PubChem CID64602570
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c1-9(6-7-16-2)15-8-10-11(13)4-3-5-12(10)14/h3-5,9,15H,6-8H2,1-2H3
InChIKeyXNPPLDVDVLPMMP-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
CID 777013
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727
4-chloro-N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 114934206
N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
(2R)-2-N-[(2,6-difluorophenyl)methyl]propane-1,2-diamine
CID 104868138
1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol
CID 64603633
N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 115632231
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
CID 62733353
[1-(2,6-difluorophenyl)-5-methoxy-3-methylpentan-2-yl]hydrazine
CID 105337870
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine
CID 64602597

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine (CID 64602570) is N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine is COCCC(C)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine?
The InChIKey is XNPPLDVDVLPMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-9(6-7-16-2)15-8-10-11(13)4-3-5-12(10)14/h3-5,9,15H,6-8H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine?
N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 64602570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).