2-(4-fluoro-4-methylcyclohexyl)ethanamine

C9H18FN — CID 84650939

IUPAC2-(4-fluoro-4-methylcyclohexyl)ethanamine
SMILESCC1(F)CCC(CCN)CC1
InChIInChI=1S/C9H18FN/c1-9(10)5-2-8(3-6-9)4-7-11/h8H,2-7,11H2,1H3
InChIKeyUAJJPABOMJKAFX-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.25
Rot. Bonds2

About 2-(4-fluoro-4-methylcyclohexyl)ethanamine

2-(4-fluoro-4-methylcyclohexyl)ethanamine (PubChem CID 84650939) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-(4-fluoro-4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-4-methylcyclohexyl)ethanamine
PubChem CID84650939
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name2-(4-fluoro-4-methylcyclohexyl)ethanamine
SMILESCC1(F)CCC(CCN)CC1
InChIInChI=1S/C9H18FN/c1-9(10)5-2-8(3-6-9)4-7-11/h8H,2-7,11H2,1H3
InChIKeyUAJJPABOMJKAFX-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-4-methylcyclohexyl)methanol
CID 84649094
1-fluoro-4-(2-isocyanatoethyl)-1-methylcyclohexane
CID 84769755
ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide
CID 145029599
2-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]ethanamine
CID 79862499
1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane
CID 54567710
2-(3-azaspiro[5.5]undecan-9-yl)ethanamine
CID 59505517
2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine
CID 117021450
2-cycloheptatriacontylethanamine
CID 70967764
2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine
CID 84772014
2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine
CID 919149
3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 84736843
2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine
CID 79862196

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-fluoro-4-methylcyclohexyl)ethanamine (CID 84650939) is 2-(4-fluoro-4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-fluoro-4-methylcyclohexyl)ethanamine is CC1(F)CCC(CCN)CC1.
What is the InChIKey of 2-(4-fluoro-4-methylcyclohexyl)ethanamine?
The InChIKey is UAJJPABOMJKAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-9(10)5-2-8(3-6-9)4-7-11/h8H,2-7,11H2,1H3.
What are the key properties of 2-(4-fluoro-4-methylcyclohexyl)ethanamine?
2-(4-fluoro-4-methylcyclohexyl)ethanamine has a molecular weight of 159.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 84650939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).