2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol

C11H16FNO2 — CID 107685808

IUPAC2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
SMILESCC(O)CCNCc1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO2/c1-8(14)4-5-13-7-9-2-3-11(15)10(12)6-9/h2-3,6,8,13-15H,4-5,7H2,1H3
InChIKeySDSIEQIIPOSTNU-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.39
Rot. Bonds5

About 2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol

2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol (PubChem CID 107685808) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
PubChem CID107685808
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
SMILESCC(O)CCNCc1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO2/c1-8(14)4-5-13-7-9-2-3-11(15)10(12)6-9/h2-3,6,8,13-15H,4-5,7H2,1H3
InChIKeySDSIEQIIPOSTNU-UHFFFAOYSA-N
XLogP1.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[(3-chloro-4-fluorophenyl)methylamino]butan-2-ol
CID 97053093
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
CID 107685805
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 107685628
4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
CID 107685688
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-methylethanesulfonamide
CID 106333461
5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide
CID 114161742
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
(2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol
CID 96500088
2-fluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 115722402
2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
CID 107685868

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol?
The IUPAC name of 2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol (CID 107685808) is 2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol is CC(O)CCNCc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol?
The InChIKey is SDSIEQIIPOSTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8(14)4-5-13-7-9-2-3-11(15)10(12)6-9/h2-3,6,8,13-15H,4-5,7H2,1H3.
What are the key properties of 2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol?
2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol has a molecular weight of 213.25 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol is sourced from PubChem (CID 107685808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).