5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol

C14H20FNO2 — CID 55146692

IUPAC5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol
SMILESCC(NCC1CCCCO1)c1ccc(F)cc1O
InChIInChI=1S/C14H20FNO2/c1-10(13-6-5-11(15)8-14(13)17)16-9-12-4-2-3-7-18-12/h5-6,8,10,12,16-17H,2-4,7,9H2,1H3
InChIKeyKPRBBFGMAZHSBK-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.75
Rot. Bonds4

About 5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol

5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol (PubChem CID 55146692) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol
PubChem CID55146692
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol
SMILESCC(NCC1CCCCO1)c1ccc(F)cc1O
InChIInChI=1S/C14H20FNO2/c1-10(13-6-5-11(15)8-14(13)17)16-9-12-4-2-3-7-18-12/h5-6,8,10,12,16-17H,2-4,7,9H2,1H3
InChIKeyKPRBBFGMAZHSBK-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
CID 63066355
2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
CID 63065844
1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine
CID 139016017
5-fluoro-2-[1-(thian-2-ylmethylamino)ethyl]phenol
CID 80601318
1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 103915785
5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
CID 107417292
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol
CID 66006234
1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014378
2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 63318425
2-(4-fluoro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 55038391

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol (CID 55146692) is 5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol is CC(NCC1CCCCO1)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol?
The InChIKey is KPRBBFGMAZHSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(13-6-5-11(15)8-14(13)17)16-9-12-4-2-3-7-18-12/h5-6,8,10,12,16-17H,2-4,7,9H2,1H3.
What are the key properties of 5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol?
5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol has a molecular weight of 253.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 55146692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).