[1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine

C18H27FN2 — CID 103494505

IUPAC[1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine
SMILESCC1CC(C)(C)CC(CN)(N2CCc3ccc(F)cc32)C1
InChIInChI=1S/C18H27FN2/c1-13-9-17(2,3)11-18(10-13,12-20)21-7-6-14-4-5-15(19)8-16(14)21/h4-5,8,13H,6-7,9-12,20H2,1-3H3
InChIKeyQHZZANFOFWBEDZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.73
Rot. Bonds2

About [1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine

[1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine (PubChem CID 103494505) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is [1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine
PubChem CID103494505
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name[1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine
SMILESCC1CC(C)(C)CC(CN)(N2CCc3ccc(F)cc32)C1
InChIInChI=1S/C18H27FN2/c1-13-9-17(2,3)11-18(10-13,12-20)21-7-6-14-4-5-15(19)8-16(14)21/h4-5,8,13H,6-7,9-12,20H2,1-3H3
InChIKeyQHZZANFOFWBEDZ-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(6-fluoro-2,3-dihydroindol-1-yl)-3-propan-2-ylcyclohexyl]methanamine
CID 107449256
[1-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine
CID 103494411
[3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyloxolan-3-yl]methanamine
CID 103494393
[1-(2,3-dihydroindol-1-yl)-3-methylcyclopentyl]methanamine
CID 64501563
[1-(aminomethyl)-4-methylcyclohexyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495287
1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylcyclobutane-1-carbothioamide
CID 103495613
[1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine
CID 64753229
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
[3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 55151816
2-(1,3-dimethylpyrazol-4-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494548
2-cyclohexyl-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494523
2-(2,6-dichlorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494477

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine?
The IUPAC name of [1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine (CID 103494505) is [1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine is CC1CC(C)(C)CC(CN)(N2CCc3ccc(F)cc32)C1.
What is the InChIKey of [1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine?
The InChIKey is QHZZANFOFWBEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-13-9-17(2,3)11-18(10-13,12-20)21-7-6-14-4-5-15(19)8-16(14)21/h4-5,8,13H,6-7,9-12,20H2,1-3H3.
What are the key properties of [1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine?
[1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-2,3-dihydroindol-1-yl)-3,3,5-trimethylcyclohexyl]methanamine is sourced from PubChem (CID 103494505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).