[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine

C14H20FNO — CID 43293926

IUPAC[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Oc2ccccc2F)C1
InChIInChI=1S/C14H20FNO/c1-10-6-7-11(9-16)14(8-10)17-13-5-3-2-4-12(13)15/h2-5,10-11,14H,6-9,16H2,1H3
InChIKeyOROWOKLOGRWCMA-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.97
Rot. Bonds3

About [2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine

[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine (PubChem CID 43293926) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
PubChem CID43293926
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Oc2ccccc2F)C1
InChIInChI=1S/C14H20FNO/c1-10-6-7-11(9-16)14(8-10)17-13-5-3-2-4-12(13)15/h2-5,10-11,14H,6-9,16H2,1H3
InChIKeyOROWOKLOGRWCMA-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294242
[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
CID 43531167
[2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294041
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293855
[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293897
[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
CID 43428941
[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294223
[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
CID 43294072
[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
CID 43293990
[4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
CID 43293835
[4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine
CID 43294024

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine (CID 43293926) is [2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(Oc2ccccc2F)C1.
What is the InChIKey of [2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine?
The InChIKey is OROWOKLOGRWCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-6-7-11(9-16)14(8-10)17-13-5-3-2-4-12(13)15/h2-5,10-11,14H,6-9,16H2,1H3.
What are the key properties of [2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine?
[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 43293926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).