[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine

C12H15F2NO — CID 117326701

IUPAC[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1ccc(F)c(F)c1C1(CN)CCC1
InChIInChI=1S/C12H15F2NO/c1-16-9-4-3-8(13)11(14)10(9)12(7-15)5-2-6-12/h3-4H,2,5-7,15H2,1H3
InChIKeyKWNVCGKMRJBZRN-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.35
Rot. Bonds3

About [1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine

[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine (PubChem CID 117326701) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is [1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
PubChem CID117326701
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1ccc(F)c(F)c1C1(CN)CCC1
InChIInChI=1S/C12H15F2NO/c1-16-9-4-3-8(13)11(14)10(9)12(7-15)5-2-6-12/h3-4H,2,5-7,15H2,1H3
InChIKeyKWNVCGKMRJBZRN-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
CID 117355668
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
[1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclobutyl]methanamine
CID 117334912
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117397976

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine (CID 117326701) is [1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine is COc1ccc(F)c(F)c1C1(CN)CCC1.
What is the InChIKey of [1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine?
The InChIKey is KWNVCGKMRJBZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-16-9-4-3-8(13)11(14)10(9)12(7-15)5-2-6-12/h3-4H,2,5-7,15H2,1H3.
What are the key properties of [1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine?
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine has a molecular weight of 227.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117326701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).