[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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Related Compounds

[1-(2,3-dihydroindol-1-yl)-3-methylcyclopentyl]methanamine
CID 64501563
[1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine
CID 62977112
[4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078746
[4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine
CID 65078795
[1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine
CID 64753229
[3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63923441
[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 103494802
[1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine
CID 103494411
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine
CID 79521524
2-[4-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522338
[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755313
2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine
CID 64919959

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).