2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol

C13H18FNO2 — CID 112606953

IUPAC2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
SMILESOc1c(F)cccc1CNCC1(O)CCCC1
InChIInChI=1S/C13H18FNO2/c14-11-5-3-4-10(12(11)16)8-15-9-13(17)6-1-2-7-13/h3-5,15-17H,1-2,6-9H2
InChIKeyWZGWPUKJQMUBJS-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.93
Rot. Bonds4

About 2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol

2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol (PubChem CID 112606953) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
PubChem CID112606953
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
SMILESOc1c(F)cccc1CNCC1(O)CCCC1
InChIInChI=1S/C13H18FNO2/c14-11-5-3-4-10(12(11)16)8-15-9-13(17)6-1-2-7-13/h3-5,15-17H,1-2,6-9H2
InChIKeyWZGWPUKJQMUBJS-UHFFFAOYSA-N
XLogP1.93
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-fluoro-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 112607096
2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63934114
4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzene-1,2,3-triol
CID 103953323
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931838
1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 79831783
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 112652187
2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115680075
2-chloro-6-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 115951704
1-[(1H-indol-7-ylmethylamino)methyl]cyclopentan-1-ol
CID 113234393

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol (CID 112606953) is 2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol is Oc1c(F)cccc1CNCC1(O)CCCC1.
What is the InChIKey of 2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
The InChIKey is WZGWPUKJQMUBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-11-5-3-4-10(12(11)16)8-15-9-13(17)6-1-2-7-13/h3-5,15-17H,1-2,6-9H2.
What are the key properties of 2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol has a molecular weight of 239.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol is sourced from PubChem (CID 112606953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).