1-(2,3-difluorophenoxy)-N-methylpentan-2-amine

C12H17F2NO — CID 63038671

IUPAC1-(2,3-difluorophenoxy)-N-methylpentan-2-amine
SMILESCCCC(COc1cccc(F)c1F)NC
InChIInChI=1S/C12H17F2NO/c1-3-5-9(15-2)8-16-11-7-4-6-10(13)12(11)14/h4,6-7,9,15H,3,5,8H2,1-2H3
InChIKeyHOOXGGGLVAVWDM-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.73
Rot. Bonds6

About 1-(2,3-difluorophenoxy)-N-methylpentan-2-amine

1-(2,3-difluorophenoxy)-N-methylpentan-2-amine (PubChem CID 63038671) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(2,3-difluorophenoxy)-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenoxy)-N-methylpentan-2-amine
PubChem CID63038671
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(2,3-difluorophenoxy)-N-methylpentan-2-amine
SMILESCCCC(COc1cccc(F)c1F)NC
InChIInChI=1S/C12H17F2NO/c1-3-5-9(15-2)8-16-11-7-4-6-10(13)12(11)14/h4,6-7,9,15H,3,5,8H2,1-2H3
InChIKeyHOOXGGGLVAVWDM-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylphenoxy)pentan-2-amine
CID 62044744
N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 62043196
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001
(2S)-3-(2,3-difluorophenoxy)-2-(methylamino)propanoic acid
CID 170897243
1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine
CID 62042987
N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine
CID 62041686
1,2-difluoro-3-(2-fluorooctoxy)benzene
CID 57225933
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 103283997
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol
CID 63038505

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenoxy)-N-methylpentan-2-amine?
The IUPAC name of 1-(2,3-difluorophenoxy)-N-methylpentan-2-amine (CID 63038671) is 1-(2,3-difluorophenoxy)-N-methylpentan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenoxy)-N-methylpentan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenoxy)-N-methylpentan-2-amine is CCCC(COc1cccc(F)c1F)NC.
What is the InChIKey of 1-(2,3-difluorophenoxy)-N-methylpentan-2-amine?
The InChIKey is HOOXGGGLVAVWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-5-9(15-2)8-16-11-7-4-6-10(13)12(11)14/h4,6-7,9,15H,3,5,8H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenoxy)-N-methylpentan-2-amine?
1-(2,3-difluorophenoxy)-N-methylpentan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenoxy)-N-methylpentan-2-amine is sourced from PubChem (CID 63038671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).