[1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine

C16H21F3N2 — CID 64755891

IUPAC[1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CCc3ccccc32)CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2/c17-16(18,19)13-5-8-15(11-20,9-6-13)21-10-7-12-3-1-2-4-14(12)21/h1-4,13H,5-11,20H2
InChIKeyPKONEOKMXTUPAQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.50
Rot. Bonds2

About [1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine

[1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64755891) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64755891
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name[1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CCc3ccccc32)CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2/c17-16(18,19)13-5-8-15(11-20,9-6-13)21-10-7-12-3-1-2-4-14(12)21/h1-4,13H,5-11,20H2
InChIKeyPKONEOKMXTUPAQ-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine (CID 64755891) is [1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine is NCC1(N2CCc3ccccc32)CCC(C(F)(F)F)CC1.
What is the InChIKey of [1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is PKONEOKMXTUPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c17-16(18,19)13-5-8-15(11-20,9-6-13)21-10-7-12-3-1-2-4-14(12)21/h1-4,13H,5-11,20H2.
What are the key properties of [1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
[1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 298.35 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64755891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).