N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine

C16H19F3N2 — CID 102909770

IUPACN-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C16H19F3N2/c17-16(18,19)13-3-1-2-4-14(13)21-10-11-5-6-12-7-8-20-15(12)9-11/h5-9,13-14,20-21H,1-4,10H2
InChIKeyGWUYUBKSTOELBG-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.38
Rot. Bonds3

About N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 102909770) has the molecular formula C16H19F3N2 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID102909770
Molecular FormulaC16H19F3N2
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C16H19F3N2/c17-16(18,19)13-3-1-2-4-14(13)21-10-11-5-6-12-7-8-20-15(12)9-11/h5-9,13-14,20-21H,1-4,10H2
InChIKeyGWUYUBKSTOELBG-UHFFFAOYSA-N
XLogP4.38
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 63646209
2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol
CID 102911793
N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434463
N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 79970039
2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine
CID 63052233
N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
1-(1H-indol-6-yl)-N-(oxan-2-yloxy)methanamine
CID 170703836
2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile
CID 102910834
3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one
CID 106252596
2,2-dicyclopropyl-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911260
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129
N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline
CID 102909173

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 102909770) is N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCc1ccc2cc[nH]c2c1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GWUYUBKSTOELBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2/c17-16(18,19)13-3-1-2-4-14(13)21-10-11-5-6-12-7-8-20-15(12)9-11/h5-9,13-14,20-21H,1-4,10H2.
What are the key properties of N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 296.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 102909770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).