[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine

C12H16FN — CID 117284015

IUPAC[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
SMILESCc1ccc(F)c(C2(CN)CCC2)c1
InChIInChI=1S/C12H16FN/c1-9-3-4-11(13)10(7-9)12(8-14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyFHSGOWBPPRMKDC-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.51
Rot. Bonds2

About [1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine

[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine (PubChem CID 117284015) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is [1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
PubChem CID117284015
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
SMILESCc1ccc(F)c(C2(CN)CCC2)c1
InChIInChI=1S/C12H16FN/c1-9-3-4-11(13)10(7-9)12(8-14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyFHSGOWBPPRMKDC-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine
CID 117296578
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
CID 117453314
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
[1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine
CID 117431184
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352
[1-(7-methylnaphthalen-1-yl)cyclobutyl]methanamine
CID 105483290
[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
CID 84772874
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
CID 117371857
1-(2-fluoro-5-methylphenyl)cyclopentan-1-ol
CID 62788885

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine (CID 117284015) is [1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine is Cc1ccc(F)c(C2(CN)CCC2)c1.
What is the InChIKey of [1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine?
The InChIKey is FHSGOWBPPRMKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9-3-4-11(13)10(7-9)12(8-14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3.
What are the key properties of [1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine?
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine has a molecular weight of 193.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117284015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).