[1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine

C13H14FNO — CID 117312317

IUPAC[1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2ccc3occc3c2F)CCC1
InChIInChI=1S/C13H14FNO/c14-12-9-4-7-16-11(9)3-2-10(12)13(8-15)5-1-6-13/h2-4,7H,1,5-6,8,15H2
InChIKeyUZXSAHFAQLPWQR-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.95
Rot. Bonds2

About [1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine

[1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine (PubChem CID 117312317) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is [1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine
PubChem CID117312317
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name[1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2ccc3occc3c2F)CCC1
InChIInChI=1S/C13H14FNO/c14-12-9-4-7-16-11(9)3-2-10(12)13(8-15)5-1-6-13/h2-4,7H,1,5-6,8,15H2
InChIKeyUZXSAHFAQLPWQR-UHFFFAOYSA-N
XLogP2.95
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine
CID 117293381
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 117315929
4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol
CID 117301474
[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
CID 75366182
[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117346782
[1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine
CID 117338306
[1-(1-benzofuran-3-yl)cyclopentyl]methanamine
CID 82613639
[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346634
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956
[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
CID 117468475
[1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclobutyl]methanamine
CID 117441417

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine (CID 117312317) is [1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine is NCC1(c2ccc3occc3c2F)CCC1.
What is the InChIKey of [1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine?
The InChIKey is UZXSAHFAQLPWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c14-12-9-4-7-16-11(9)3-2-10(12)13(8-15)5-1-6-13/h2-4,7H,1,5-6,8,15H2.
What are the key properties of [1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine?
[1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine has a molecular weight of 219.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117312317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).