2-[1-(2-fluorophenyl)cyclohexyl]ethanamine

C14H20FN — CID 82080099

IUPAC2-[1-(2-fluorophenyl)cyclohexyl]ethanamine
SMILESNCCC1(c2ccccc2F)CCCCC1
InChIInChI=1S/C14H20FN/c15-13-7-3-2-6-12(13)14(10-11-16)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-11,16H2
InChIKeyTZZBSLHEQDKGDB-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.38
Rot. Bonds3

About 2-[1-(2-fluorophenyl)cyclohexyl]ethanamine

2-[1-(2-fluorophenyl)cyclohexyl]ethanamine (PubChem CID 82080099) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)cyclohexyl]ethanamine
PubChem CID82080099
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-[1-(2-fluorophenyl)cyclohexyl]ethanamine
SMILESNCCC1(c2ccccc2F)CCCCC1
InChIInChI=1S/C14H20FN/c15-13-7-3-2-6-12(13)14(10-11-16)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-11,16H2
InChIKeyTZZBSLHEQDKGDB-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)cyclohexyl]ethanamine?
The IUPAC name of 2-[1-(2-fluorophenyl)cyclohexyl]ethanamine (CID 82080099) is 2-[1-(2-fluorophenyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[1-(2-fluorophenyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-[1-(2-fluorophenyl)cyclohexyl]ethanamine is NCCC1(c2ccccc2F)CCCCC1.
What is the InChIKey of 2-[1-(2-fluorophenyl)cyclohexyl]ethanamine?
The InChIKey is TZZBSLHEQDKGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c15-13-7-3-2-6-12(13)14(10-11-16)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-11,16H2.
What are the key properties of 2-[1-(2-fluorophenyl)cyclohexyl]ethanamine?
2-[1-(2-fluorophenyl)cyclohexyl]ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)cyclohexyl]ethanamine is sourced from PubChem (CID 82080099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).