1-(3,5-difluorophenoxy)-N-methylbutan-2-amine

C11H15F2NO — CID 62786158

IUPAC1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
SMILESCCC(COc1cc(F)cc(F)c1)NC
InChIInChI=1S/C11H15F2NO/c1-3-10(14-2)7-15-11-5-8(12)4-9(13)6-11/h4-6,10,14H,3,7H2,1-2H3
InChIKeyYDDRJYXHUCCUDR-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.34
Rot. Bonds5

About 1-(3,5-difluorophenoxy)-N-methylbutan-2-amine

1-(3,5-difluorophenoxy)-N-methylbutan-2-amine (PubChem CID 62786158) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(3,5-difluorophenoxy)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
PubChem CID62786158
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
SMILESCCC(COc1cc(F)cc(F)c1)NC
InChIInChI=1S/C11H15F2NO/c1-3-10(14-2)7-15-11-5-8(12)4-9(13)6-11/h4-6,10,14H,3,7H2,1-2H3
InChIKeyYDDRJYXHUCCUDR-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-difluorophenoxy)-N-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine
CID 62785969
1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
CID 62785968
1-(4-ethylphenoxy)-N-methylbutan-2-amine
CID 62038493
N-methyl-1-(3-methylphenoxy)butan-2-amine
CID 62038283
N-methyl-1-naphthalen-2-yloxybutan-2-amine
CID 62041246
1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
CID 63628941
1-(3,5-difluorophenoxy)propan-2-ol
CID 62784687
1-(3,5-difluorophenoxy)-N-propylpropan-2-amine
CID 62784297
1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62785219
N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
CID 62041063
6-(3-fluorophenoxy)-N-methylhexan-3-amine
CID 106800734
1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane
CID 169145011

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenoxy)-N-methylbutan-2-amine?
The IUPAC name of 1-(3,5-difluorophenoxy)-N-methylbutan-2-amine (CID 62786158) is 1-(3,5-difluorophenoxy)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenoxy)-N-methylbutan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenoxy)-N-methylbutan-2-amine is CCC(COc1cc(F)cc(F)c1)NC.
What is the InChIKey of 1-(3,5-difluorophenoxy)-N-methylbutan-2-amine?
The InChIKey is YDDRJYXHUCCUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-10(14-2)7-15-11-5-8(12)4-9(13)6-11/h4-6,10,14H,3,7H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenoxy)-N-methylbutan-2-amine?
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenoxy)-N-methylbutan-2-amine is sourced from PubChem (CID 62786158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).