2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol

C15H22FNO — CID 63065844

IUPAC2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
SMILESCC(NCC1CCCCC1)c1ccc(F)cc1O
InChIInChI=1S/C15H22FNO/c1-11(14-8-7-13(16)9-15(14)18)17-10-12-5-3-2-4-6-12/h7-9,11-12,17-18H,2-6,10H2,1H3
InChIKeyAXHZPFPHNXZIIW-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.76
Rot. Bonds4

About 2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol

2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol (PubChem CID 63065844) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
PubChem CID63065844
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
SMILESCC(NCC1CCCCC1)c1ccc(F)cc1O
InChIInChI=1S/C15H22FNO/c1-11(14-8-7-13(16)9-15(14)18)17-10-12-5-3-2-4-6-12/h7-9,11-12,17-18H,2-6,10H2,1H3
InChIKeyAXHZPFPHNXZIIW-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol
CID 66006234
5-fluoro-2-[1-(thian-2-ylmethylamino)ethyl]phenol
CID 80601318
5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol
CID 55146692
5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
CID 107417292
5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
CID 63066355
2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 63318425
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
CID 115358531
1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol (CID 63065844) is 2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol is CC(NCC1CCCCC1)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol?
The InChIKey is AXHZPFPHNXZIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(14-8-7-13(16)9-15(14)18)17-10-12-5-3-2-4-6-12/h7-9,11-12,17-18H,2-6,10H2,1H3.
What are the key properties of 2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol?
2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol has a molecular weight of 251.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol is sourced from PubChem (CID 63065844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).