5-[(cyclobutylamino)methyl]-2-fluorophenol

C11H14FNO — CID 117221540

IUPAC5-[(cyclobutylamino)methyl]-2-fluorophenol
SMILESOc1cc(CNC2CCC2)ccc1F
InChIInChI=1S/C11H14FNO/c12-10-5-4-8(6-11(10)14)7-13-9-2-1-3-9/h4-6,9,13-14H,1-3,7H2
InChIKeyLFIWFLRJTWWHAU-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.17
Rot. Bonds3

About 5-[(cyclobutylamino)methyl]-2-fluorophenol

5-[(cyclobutylamino)methyl]-2-fluorophenol (PubChem CID 117221540) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-[(cyclobutylamino)methyl]-2-fluorophenol.

Molecular Properties

Compound Name5-[(cyclobutylamino)methyl]-2-fluorophenol
PubChem CID117221540
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name5-[(cyclobutylamino)methyl]-2-fluorophenol
SMILESOc1cc(CNC2CCC2)ccc1F
InChIInChI=1S/C11H14FNO/c12-10-5-4-8(6-11(10)14)7-13-9-2-1-3-9/h4-6,9,13-14H,1-3,7H2
InChIKeyLFIWFLRJTWWHAU-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(cyclopentylamino)methyl]-2-methylphenol
CID 117221552
4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol
CID 117219993
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
3-[(cyclobutylamino)methyl]phenol
CID 62416890
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 103784727
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol
CID 71733465
4-[(cyclopentylamino)methyl]phenol
CID 3873791
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 107685595
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclobutylamino)methyl]-2-fluorophenol?
The IUPAC name of 5-[(cyclobutylamino)methyl]-2-fluorophenol (CID 117221540) is 5-[(cyclobutylamino)methyl]-2-fluorophenol.
What is the SMILES notation for 5-[(cyclobutylamino)methyl]-2-fluorophenol?
The canonical SMILES for 5-[(cyclobutylamino)methyl]-2-fluorophenol is Oc1cc(CNC2CCC2)ccc1F.
What is the InChIKey of 5-[(cyclobutylamino)methyl]-2-fluorophenol?
The InChIKey is LFIWFLRJTWWHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-10-5-4-8(6-11(10)14)7-13-9-2-1-3-9/h4-6,9,13-14H,1-3,7H2.
What are the key properties of 5-[(cyclobutylamino)methyl]-2-fluorophenol?
5-[(cyclobutylamino)methyl]-2-fluorophenol has a molecular weight of 195.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclobutylamino)methyl]-2-fluorophenol is sourced from PubChem (CID 117221540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).