4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid

C15H20FNO2 — CID 5005578

IUPAC4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FNO2/c16-14-7-3-12(4-8-14)10-17-9-11-1-5-13(6-2-11)15(18)19/h3-4,7-8,11,13,17H,1-2,5-6,9-10H2,(H,18,19)
InChIKeyBOGMGZWIRREMBI-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.81
Rot. Bonds5

About 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid

4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 5005578) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID5005578
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FNO2/c16-14-7-3-12(4-8-14)10-17-9-11-1-5-13(6-2-11)15(18)19/h3-4,7-8,11,13,17H,1-2,5-6,9-10H2,(H,18,19)
InChIKeyBOGMGZWIRREMBI-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid;phenylmethanethiol
CID 143767157
4-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532484
4-[[(4-cyanophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532389
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213417
4-[[(3,4-dichlorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532727
4-[[2-(4-fluorophenyl)sulfanylethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529800
4-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106467902
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79971547
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964098
4-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529930

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid (CID 5005578) is 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BOGMGZWIRREMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-14-7-3-12(4-8-14)10-17-9-11-1-5-13(6-2-11)15(18)19/h3-4,7-8,11,13,17H,1-2,5-6,9-10H2,(H,18,19).
What are the key properties of 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 5005578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).