2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine

C11H18FN — CID 166812270

IUPAC2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine
SMILESCCC1=C(F)C=CC(CCNC)C1
InChIInChI=1S/C11H18FN/c1-3-10-8-9(6-7-13-2)4-5-11(10)12/h4-5,9,13H,3,6-8H2,1-2H3
InChIKeyQACMZTDXICRFIL-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.81
Rot. Bonds4

About 2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine

2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine (PubChem CID 166812270) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine
PubChem CID166812270
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine
SMILESCCC1=C(F)C=CC(CCNC)C1
InChIInChI=1S/C11H18FN/c1-3-10-8-9(6-7-13-2)4-5-11(10)12/h4-5,9,13H,3,6-8H2,1-2H3
InChIKeyQACMZTDXICRFIL-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
6-(Trifluoromethyl)-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69530943
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine
CID 89089180
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine?
The IUPAC name of 2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine (CID 166812270) is 2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine is CCC1=C(F)C=CC(CCNC)C1.
What is the InChIKey of 2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine?
The InChIKey is QACMZTDXICRFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-3-10-8-9(6-7-13-2)4-5-11(10)12/h4-5,9,13H,3,6-8H2,1-2H3.
What are the key properties of 2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine?
2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine has a molecular weight of 183.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine is sourced from PubChem (CID 166812270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).