4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol

C11H14FNO2 — CID 117301474

IUPAC4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol
SMILESNCC1(c2ccc(O)c(F)c2O)CCC1
InChIInChI=1S/C11H14FNO2/c12-9-8(14)3-2-7(10(9)15)11(6-13)4-1-5-11/h2-3,14-15H,1,4-6,13H2
InChIKeyQYTZHGUNNVTAMW-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.62
Rot. Bonds2

About 4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol

4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol (PubChem CID 117301474) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol
PubChem CID117301474
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol
SMILESNCC1(c2ccc(O)c(F)c2O)CCC1
InChIInChI=1S/C11H14FNO2/c12-9-8(14)3-2-7(10(9)15)11(6-13)4-1-5-11/h2-3,14-15H,1,4-6,13H2
InChIKeyQYTZHGUNNVTAMW-UHFFFAOYSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol
CID 117283669
[1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 117312317
2-[1-(aminomethyl)cyclohexyl]-4-chloro-3-fluorophenol
CID 117397913

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol?
The IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol (CID 117301474) is 4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol?
The canonical SMILES for 4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol is NCC1(c2ccc(O)c(F)c2O)CCC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol?
The InChIKey is QYTZHGUNNVTAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-9-8(14)3-2-7(10(9)15)11(6-13)4-1-5-11/h2-3,14-15H,1,4-6,13H2.
What are the key properties of 4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol?
4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol has a molecular weight of 211.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol is sourced from PubChem (CID 117301474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).