1-(4-fluorocyclohexyl)-N-methylethanamine

C9H18FN — CID 84731477

IUPAC1-(4-fluorocyclohexyl)-N-methylethanamine
SMILESCNC(C)C1CCC(F)CC1
InChIInChI=1S/C9H18FN/c1-7(11-2)8-3-5-9(10)6-4-8/h7-9,11H,3-6H2,1-2H3
InChIKeyPQPXPBADDLLGGH-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.12
Rot. Bonds2

About 1-(4-fluorocyclohexyl)-N-methylethanamine

1-(4-fluorocyclohexyl)-N-methylethanamine (PubChem CID 84731477) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(4-fluorocyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluorocyclohexyl)-N-methylethanamine
PubChem CID84731477
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-(4-fluorocyclohexyl)-N-methylethanamine
SMILESCNC(C)C1CCC(F)CC1
InChIInChI=1S/C9H18FN/c1-7(11-2)8-3-5-9(10)6-4-8/h7-9,11H,3-6H2,1-2H3
InChIKeyPQPXPBADDLLGGH-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-methylethanamine;hydrochloride
CID 24649766
(1R)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 94033456
1-cyclopentyl-N-methylethanamine;ethane
CID 142106515
CID 162293667
CID 162293667
1-cyclohexyl-N-methylethanamine;hydrochloride
CID 102555174
1-cyclohexyl-N-methylethanamine;ethane
CID 143356514
1-(4-butylcyclohexyl)-N-methylethanamine
CID 115780857
1-(3,4-dimethylcyclopentyl)-N-methylethanamine
CID 167190559
N-methyl-1-(3-methylcyclobutyl)ethanamine
CID 103565343
(1R)-N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 15223500
N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 70272075
N-(1-cyclopropylethyl)thiohydroxylamine
CID 123279619

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexyl)-N-methylethanamine?
The IUPAC name of 1-(4-fluorocyclohexyl)-N-methylethanamine (CID 84731477) is 1-(4-fluorocyclohexyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-fluorocyclohexyl)-N-methylethanamine?
The canonical SMILES for 1-(4-fluorocyclohexyl)-N-methylethanamine is CNC(C)C1CCC(F)CC1.
What is the InChIKey of 1-(4-fluorocyclohexyl)-N-methylethanamine?
The InChIKey is PQPXPBADDLLGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(11-2)8-3-5-9(10)6-4-8/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 1-(4-fluorocyclohexyl)-N-methylethanamine?
1-(4-fluorocyclohexyl)-N-methylethanamine has a molecular weight of 159.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexyl)-N-methylethanamine is sourced from PubChem (CID 84731477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).