3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol

C13H18FNO — CID 67983841

IUPAC3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESNC1CCCC(O)(Cc2ccccc2F)C1
InChIInChI=1S/C13H18FNO/c14-12-6-2-1-4-10(12)8-13(16)7-3-5-11(15)9-13/h1-2,4,6,11,16H,3,5,7-9,15H2
InChIKeyXQWONQVFJAQLIE-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.00
Rot. Bonds2

About 3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol

3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 67983841) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID67983841
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESNC1CCCC(O)(Cc2ccccc2F)C1
InChIInChI=1S/C13H18FNO/c14-12-6-2-1-4-10(12)8-13(16)7-3-5-11(15)9-13/h1-2,4,6,11,16H,3,5,7-9,15H2
InChIKeyXQWONQVFJAQLIE-UHFFFAOYSA-N
XLogP2.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
CID 112653138
3-[(2-fluorophenyl)methyl]-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171959076
3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 80562098
1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol
CID 112653080
3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171959060
2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclopentan-1-ol
CID 13458035
1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429837
3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 112567490
1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64774562

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol (CID 67983841) is 3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol is NC1CCCC(O)(Cc2ccccc2F)C1.
What is the InChIKey of 3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is XQWONQVFJAQLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-12-6-2-1-4-10(12)8-13(16)7-3-5-11(15)9-13/h1-2,4,6,11,16H,3,5,7-9,15H2.
What are the key properties of 3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 67983841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).