4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol

C14H20FNO — CID 117347337

IUPAC4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol
SMILESCC(F)c1cc(C2(N)CCCCC2)ccc1O
InChIInChI=1S/C14H20FNO/c1-10(15)12-9-11(5-6-13(12)17)14(16)7-3-2-4-8-14/h5-6,9-10,17H,2-4,7-8,16H2,1H3
InChIKeyJVQMICOJQNUXEJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.54
Rot. Bonds2

About 4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol

4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol (PubChem CID 117347337) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol.

Molecular Properties

Compound Name4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol
PubChem CID117347337
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol
SMILESCC(F)c1cc(C2(N)CCCCC2)ccc1O
InChIInChI=1S/C14H20FNO/c1-10(15)12-9-11(5-6-13(12)17)14(16)7-3-2-4-8-14/h5-6,9-10,17H,2-4,7-8,16H2,1H3
InChIKeyJVQMICOJQNUXEJ-UHFFFAOYSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol?
The IUPAC name of 4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol (CID 117347337) is 4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol.
What is the SMILES notation for 4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol?
The canonical SMILES for 4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol is CC(F)c1cc(C2(N)CCCCC2)ccc1O.
What is the InChIKey of 4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol?
The InChIKey is JVQMICOJQNUXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(15)12-9-11(5-6-13(12)17)14(16)7-3-2-4-8-14/h5-6,9-10,17H,2-4,7-8,16H2,1H3.
What are the key properties of 4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol?
4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol has a molecular weight of 237.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol is sourced from PubChem (CID 117347337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).