5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol

C15H22FNO2 — CID 115358531

IUPAC5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
SMILESCC(NCC1(CO)CCCC1)c1ccc(F)cc1O
InChIInChI=1S/C15H22FNO2/c1-11(13-5-4-12(16)8-14(13)19)17-9-15(10-18)6-2-3-7-15/h4-5,8,11,17-19H,2-3,6-7,9-10H2,1H3
InChIKeyGEQZNSZUUFUXML-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.73
Rot. Bonds5

About 5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol

5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol (PubChem CID 115358531) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
PubChem CID115358531
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
SMILESCC(NCC1(CO)CCCC1)c1ccc(F)cc1O
InChIInChI=1S/C15H22FNO2/c1-11(13-5-4-12(16)8-14(13)19)17-9-15(10-18)6-2-3-7-15/h4-5,8,11,17-19H,2-3,6-7,9-10H2,1H3
InChIKeyGEQZNSZUUFUXML-UHFFFAOYSA-N
XLogP2.73
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.73
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

1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
[1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81419006
[1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103924886
2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol
CID 103965826
2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
CID 63065844
[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 79985726
[1-[[1-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343132
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393
[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358422
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol
CID 66006234
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol (CID 115358531) is 5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol is CC(NCC1(CO)CCCC1)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol?
The InChIKey is GEQZNSZUUFUXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(13-5-4-12(16)8-14(13)19)17-9-15(10-18)6-2-3-7-15/h4-5,8,11,17-19H,2-3,6-7,9-10H2,1H3.
What are the key properties of 5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol?
5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol has a molecular weight of 267.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol is sourced from PubChem (CID 115358531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).