[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine

C13H18FNO — CID 117320226

IUPAC[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
SMILESCOCc1cccc(C2(CN)CCC2)c1F
InChIInChI=1S/C13H18FNO/c1-16-8-10-4-2-5-11(12(10)14)13(9-15)6-3-7-13/h2,4-5H,3,6-9,15H2,1H3
InChIKeyGNYUWOYQFUTBHY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.35
Rot. Bonds4

About [1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine

[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117320226) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
PubChem CID117320226
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
SMILESCOCc1cccc(C2(CN)CCC2)c1F
InChIInChI=1S/C13H18FNO/c1-16-8-10-4-2-5-11(12(10)14)13(9-15)6-3-7-13/h2,4-5H,3,6-9,15H2,1H3
InChIKeyGNYUWOYQFUTBHY-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117457397
[1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117343179
[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117423394
2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117320154
[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377419
[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
CID 117461246
[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117347808
2-fluoro-1-(1-isocyanatocyclopropyl)-3-(methoxymethyl)benzene
CID 117315342
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclobutyl]methanamine
CID 117412717
[1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117468012

Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine (CID 117320226) is [1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine is COCc1cccc(C2(CN)CCC2)c1F.
What is the InChIKey of [1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is GNYUWOYQFUTBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-8-10-4-2-5-11(12(10)14)13(9-15)6-3-7-13/h2,4-5H,3,6-9,15H2,1H3.
What are the key properties of [1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine?
[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117320226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).