5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol

C15H22FNO — CID 55145915

IUPAC5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
SMILESCC1CCC(NC(C)c2ccc(F)cc2O)CC1
InChIInChI=1S/C15H22FNO/c1-10-3-6-13(7-4-10)17-11(2)14-8-5-12(16)9-15(14)18/h5,8-11,13,17-18H,3-4,6-7H2,1-2H3
InChIKeyXTKDPJQCGFXZLM-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.76
Rot. Bonds3

About 5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol

5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol (PubChem CID 55145915) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
PubChem CID55145915
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
SMILESCC1CCC(NC(C)c2ccc(F)cc2O)CC1
InChIInChI=1S/C15H22FNO/c1-10-3-6-13(7-4-10)17-11(2)14-8-5-12(16)9-15(14)18/h5,8-11,13,17-18H,3-4,6-7H2,1-2H3
InChIKeyXTKDPJQCGFXZLM-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol
CID 104582755
2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
CID 63066951
N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
CID 130625932
2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63068697
2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol
CID 79862137
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 82961576
N-[1-(2,4-difluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086758

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol (CID 55145915) is 5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol is CC1CCC(NC(C)c2ccc(F)cc2O)CC1.
What is the InChIKey of 5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol?
The InChIKey is XTKDPJQCGFXZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-3-6-13(7-4-10)17-11(2)14-8-5-12(16)9-15(14)18/h5,8-11,13,17-18H,3-4,6-7H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol?
5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol has a molecular weight of 251.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol is sourced from PubChem (CID 55145915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).