1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine

C15H17F3N2 — CID 117453561

IUPAC1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine
SMILESNC1(c2cccc3[nH]c(C(F)(F)F)cc23)CCCCC1
InChIInChI=1S/C15H17F3N2/c16-15(17,18)13-9-10-11(5-4-6-12(10)20-13)14(19)7-2-1-3-8-14/h4-6,9,20H,1-3,7-8,19H2
InChIKeyJFKYIDGBTBQNGN-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.30
Rot. Bonds1

About 1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine

1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine (PubChem CID 117453561) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine
PubChem CID117453561
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine
SMILESNC1(c2cccc3[nH]c(C(F)(F)F)cc23)CCCCC1
InChIInChI=1S/C15H17F3N2/c16-15(17,18)13-9-10-11(5-4-6-12(10)20-13)14(19)7-2-1-3-8-14/h4-6,9,20H,1-3,7-8,19H2
InChIKeyJFKYIDGBTBQNGN-UHFFFAOYSA-N
XLogP4.30
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopentan-1-amine
CID 117424144
1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine
CID 117424154
2-(trifluoromethyl)-1H-indol-4-ol
CID 67244990
[2-(trifluoromethyl)-1H-indol-4-yl]methanol
CID 84680774
1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine
CID 82378614
1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
CID 117327946
1-isoquinolin-8-ylcyclohexan-1-amine
CID 103143187
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795
2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine
CID 65007104
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
1-(2-bromophenyl)cyclopentan-1-amine;hydrochloride
CID 171935306
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine (CID 117453561) is 1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine is NC1(c2cccc3[nH]c(C(F)(F)F)cc23)CCCCC1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine?
The InChIKey is JFKYIDGBTBQNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c16-15(17,18)13-9-10-11(5-4-6-12(10)20-13)14(19)7-2-1-3-8-14/h4-6,9,20H,1-3,7-8,19H2.
What are the key properties of 1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine?
1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine has a molecular weight of 282.31 g/mol, XLogP of 4.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 117453561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).