N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

C17H24FN — CID 83067007

IUPACN-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCC1CCCC(NC2CCc3c(F)cccc32)C1
InChIInChI=1S/C17H24FN/c1-2-12-5-3-6-13(11-12)19-17-10-9-14-15(17)7-4-8-16(14)18/h4,7-8,12-13,17,19H,2-3,5-6,9-11H2,1H3
InChIKeyVCWQVWKCSALIEK-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.37
Rot. Bonds3

About N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 83067007) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID83067007
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCC1CCCC(NC2CCc3c(F)cccc32)C1
InChIInChI=1S/C17H24FN/c1-2-12-5-3-6-13(11-12)19-17-10-9-14-15(17)7-4-8-16(14)18/h4,7-8,12-13,17,19H,2-3,5-6,9-11H2,1H3
InChIKeyVCWQVWKCSALIEK-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclooctyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065945
3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine
CID 64742391
N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065498
N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64742190
4-fluoro-N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 81334417
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 83065400
4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 102904112
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065507
4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 103779434
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 113251346

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 83067007) is N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is CCC1CCCC(NC2CCc3c(F)cccc32)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VCWQVWKCSALIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-2-12-5-3-6-13(11-12)19-17-10-9-14-15(17)7-4-8-16(14)18/h4,7-8,12-13,17,19H,2-3,5-6,9-11H2,1H3.
What are the key properties of N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 261.38 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83067007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).