3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine

C11H13F2NO — CID 66359079

IUPAC3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H13F2NO/c1-14-7-4-9(5-7)15-8-2-3-10(12)11(13)6-8/h2-3,6-7,9,14H,4-5H2,1H3
InChIKeyYIONIZNDDWLFGK-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.09
Rot. Bonds3

About 3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine

3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine (PubChem CID 66359079) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine
PubChem CID66359079
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H13F2NO/c1-14-7-4-9(5-7)15-8-2-3-10(12)11(13)6-8/h2-3,6-7,9,14H,4-5H2,1H3
InChIKeyYIONIZNDDWLFGK-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine
CID 107168914
3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine
CID 66351796
3-(3-chloro-4-fluorophenoxy)-N-ethylcyclobutan-1-amine
CID 66351585
3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine
CID 66359286
3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine
CID 107727245
3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine
CID 135278344
3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66345004
2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870482
4-(3,4-difluorophenoxy)azepane
CID 63904830
(1S,5R)-3-(3-chloro-4-fluorophenoxy)-8-methyl-8-azabicyclo[3.2.1]oct-6-ene;hydrochloride
CID 68959767
3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine
CID 165144232
(7S)-2-[[3-(3,4-difluorophenoxy)cyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
CID 146194051

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine (CID 66359079) is 3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine is CNC1CC(Oc2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is YIONIZNDDWLFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-14-7-4-9(5-7)15-8-2-3-10(12)11(13)6-8/h2-3,6-7,9,14H,4-5H2,1H3.
What are the key properties of 3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine?
3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 213.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 66359079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).