3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol

C16H24FNO — CID 107721055

IUPAC3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol
SMILESCC1CCCCC1N(C)C(C)c1ccc(O)cc1F
InChIInChI=1S/C16H24FNO/c1-11-6-4-5-7-16(11)18(3)12(2)14-9-8-13(19)10-15(14)17/h8-12,16,19H,4-7H2,1-3H3
InChIKeyVTZZFOIBCLENQU-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.10
Rot. Bonds3

About 3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol

3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol (PubChem CID 107721055) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol
PubChem CID107721055
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol
SMILESCC1CCCCC1N(C)C(C)c1ccc(O)cc1F
InChIInChI=1S/C16H24FNO/c1-11-6-4-5-7-16(11)18(3)12(2)14-9-8-13(19)10-15(14)17/h8-12,16,19H,4-7H2,1-3H3
InChIKeyVTZZFOIBCLENQU-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol (CID 107721055) is 3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol is CC1CCCCC1N(C)C(C)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol?
The InChIKey is VTZZFOIBCLENQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-6-4-5-7-16(11)18(3)12(2)14-9-8-13(19)10-15(14)17/h8-12,16,19H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol?
3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol has a molecular weight of 265.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol is sourced from PubChem (CID 107721055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).