[2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine

C15H22FN — CID 115041097

IUPAC[2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine
SMILESCC(F)(c1ccccc1CN)C1CCCCC1
InChIInChI=1S/C15H22FN/c1-15(16,13-8-3-2-4-9-13)14-10-6-5-7-12(14)11-17/h5-7,10,13H,2-4,8-9,11,17H2,1H3
InChIKeyLNLRYQZKPWOOPL-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.91
Rot. Bonds3

About [2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine

[2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine (PubChem CID 115041097) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is [2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine
PubChem CID115041097
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name[2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine
SMILESCC(F)(c1ccccc1CN)C1CCCCC1
InChIInChI=1S/C15H22FN/c1-15(16,13-8-3-2-4-9-13)14-10-6-5-7-12(14)11-17/h5-7,10,13H,2-4,8-9,11,17H2,1H3
InChIKeyLNLRYQZKPWOOPL-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-cyclopentyl-1-fluoroethyl)aniline
CID 115025381
[2-(cyclohexylmethyl)phenyl]methanamine
CID 105455805
[3-(2-cyclopropyl-1,1-difluoro-2-methylpropyl)-2-fluorophenyl]methanamine;ethane;methylsulfanylethane
CID 171513081
2-[1-(azepan-4-yl)-1-fluoroethyl]phenol
CID 84727540
[2-(2-fluoro-2-methylpropyl)phenyl]methanamine
CID 84658124
1-cyclohexyl-1-(2-propoxyphenyl)ethanol
CID 114794929
1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 114794872
3-(1-cyclopentyl-1-fluoroethyl)aniline
CID 115025375
2-[1-fluoro-1-(oxan-4-yl)ethyl]phenol
CID 115034518
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
tert-butylcyclohexane;1-tert-butyl-2-fluorobenzene;methane
CID 167625825
1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine?
The IUPAC name of [2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine (CID 115041097) is [2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine.
What is the SMILES notation for [2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine?
The canonical SMILES for [2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine is CC(F)(c1ccccc1CN)C1CCCCC1.
What is the InChIKey of [2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine?
The InChIKey is LNLRYQZKPWOOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-15(16,13-8-3-2-4-9-13)14-10-6-5-7-12(14)11-17/h5-7,10,13H,2-4,8-9,11,17H2,1H3.
What are the key properties of [2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine?
[2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine is sourced from PubChem (CID 115041097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).