2-[(cyclooctylamino)methyl]-4-fluorophenol

C15H22FNO — CID 103947924

IUPAC2-[(cyclooctylamino)methyl]-4-fluorophenol
SMILESOc1ccc(F)cc1CNC1CCCCCCC1
InChIInChI=1S/C15H22FNO/c16-13-8-9-15(18)12(10-13)11-17-14-6-4-2-1-3-5-7-14/h8-10,14,17-18H,1-7,11H2
InChIKeyYLHVSWVVFSHPAX-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.73
Rot. Bonds3

About 2-[(cyclooctylamino)methyl]-4-fluorophenol

2-[(cyclooctylamino)methyl]-4-fluorophenol (PubChem CID 103947924) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[(cyclooctylamino)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(cyclooctylamino)methyl]-4-fluorophenol
PubChem CID103947924
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[(cyclooctylamino)methyl]-4-fluorophenol
SMILESOc1ccc(F)cc1CNC1CCCCCCC1
InChIInChI=1S/C15H22FNO/c16-13-8-9-15(18)12(10-13)11-17-14-6-4-2-1-3-5-7-14/h8-10,14,17-18H,1-7,11H2
InChIKeyYLHVSWVVFSHPAX-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
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

4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol
CID 118140415
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
2-[[(3,5-dimethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948788
2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile
CID 107903846
2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948073
4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 107694535
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 103948101
4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride
CID 44531466
2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429755

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclooctylamino)methyl]-4-fluorophenol?
The IUPAC name of 2-[(cyclooctylamino)methyl]-4-fluorophenol (CID 103947924) is 2-[(cyclooctylamino)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[(cyclooctylamino)methyl]-4-fluorophenol?
The canonical SMILES for 2-[(cyclooctylamino)methyl]-4-fluorophenol is Oc1ccc(F)cc1CNC1CCCCCCC1.
What is the InChIKey of 2-[(cyclooctylamino)methyl]-4-fluorophenol?
The InChIKey is YLHVSWVVFSHPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c16-13-8-9-15(18)12(10-13)11-17-14-6-4-2-1-3-5-7-14/h8-10,14,17-18H,1-7,11H2.
What are the key properties of 2-[(cyclooctylamino)methyl]-4-fluorophenol?
2-[(cyclooctylamino)methyl]-4-fluorophenol has a molecular weight of 251.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclooctylamino)methyl]-4-fluorophenol is sourced from PubChem (CID 103947924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).