2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol

C12H18FNO2 — CID 115972498

IUPAC2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
SMILESCCCC(O)CNCc1cccc(F)c1O
InChIInChI=1S/C12H18FNO2/c1-2-4-10(15)8-14-7-9-5-3-6-11(13)12(9)16/h3,5-6,10,14-16H,2,4,7-8H2,1H3
InChIKeyUKVSKLJTCYBIJN-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.78
Rot. Bonds6

About 2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol

2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol (PubChem CID 115972498) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
PubChem CID115972498
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
SMILESCCCC(O)CNCc1cccc(F)c1O
InChIInChI=1S/C12H18FNO2/c1-2-4-10(15)8-14-7-9-5-3-6-11(13)12(9)16/h3,5-6,10,14-16H,2,4,7-8H2,1H3
InChIKeyUKVSKLJTCYBIJN-UHFFFAOYSA-N
XLogP1.78
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.78
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

2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol
CID 103948931
2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
CID 103948313
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol
CID 115897828
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol
CID 115660111
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435
2-[(2-hydroxypentylamino)methyl]-4-methylphenol
CID 111122866
2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol
CID 115951025
1-(isoquinolin-5-ylmethylamino)pentan-2-ol
CID 113381728
2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol
CID 112606832
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol (CID 115972498) is 2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol is CCCC(O)CNCc1cccc(F)c1O.
What is the InChIKey of 2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol?
The InChIKey is UKVSKLJTCYBIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-2-4-10(15)8-14-7-9-5-3-6-11(13)12(9)16/h3,5-6,10,14-16H,2,4,7-8H2,1H3.
What are the key properties of 2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol?
2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol has a molecular weight of 227.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol is sourced from PubChem (CID 115972498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).