2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole

C18H24FNO — CID 91608168

IUPAC2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole
SMILESCOCCCn1c(C2CCCCC2)cc2cccc(F)c21
InChIInChI=1S/C18H24FNO/c1-21-12-6-11-20-17(14-7-3-2-4-8-14)13-15-9-5-10-16(19)18(15)20/h5,9-10,13-14H,2-4,6-8,11-12H2,1H3
InChIKeyRELVLGBMHUHMAA-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.86
Rot. Bonds5

About 2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole

2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole (PubChem CID 91608168) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole.

Molecular Properties

Compound Name2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole
PubChem CID91608168
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole
SMILESCOCCCn1c(C2CCCCC2)cc2cccc(F)c21
InChIInChI=1S/C18H24FNO/c1-21-12-6-11-20-17(14-7-3-2-4-8-14)13-15-9-5-10-16(19)18(15)20/h5,9-10,13-14H,2-4,6-8,11-12H2,1H3
InChIKeyRELVLGBMHUHMAA-UHFFFAOYSA-N
XLogP4.86
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-[3-[7-fluoro-1-(3-methoxypropyl)indol-2-yl]piperidin-1-yl]-4-[4-(2-methoxypyrimidin-5-yl)phenyl]butan-1-one
CID 75242178
[1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine
CID 105491326
7-fluoro-3-(3-methoxypropyl)-1H-benzimidazol-2-one
CID 117206096
[(3R,4S)-4-amino-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]-[(3R)-3-[1-(3-methoxypropyl)indol-2-yl]piperidin-1-yl]methanone
CID 66785408
2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996621
7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole
CID 117183688
1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine
CID 139472470
2-cyclohexyl-1-ethylindol-5-amine
CID 67284570
6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
CID 46309125
7-fluoro-1-(3-methoxypropyl)indole-3-carbaldehyde
CID 58005817
3-amino-1-[3-[4-fluoro-1-(3-methoxypropyl)indol-2-yl]piperidin-1-yl]-4-[4-[4-(methylamino)phenyl]phenyl]butan-1-one
CID 75241945
7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole
CID 117183717

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole?
The IUPAC name of 2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole (CID 91608168) is 2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole.
What is the SMILES notation for 2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole?
The canonical SMILES for 2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole is COCCCn1c(C2CCCCC2)cc2cccc(F)c21.
What is the InChIKey of 2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole?
The InChIKey is RELVLGBMHUHMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-21-12-6-11-20-17(14-7-3-2-4-8-14)13-15-9-5-10-16(19)18(15)20/h5,9-10,13-14H,2-4,6-8,11-12H2,1H3.
What are the key properties of 2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole?
2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole has a molecular weight of 289.39 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole is sourced from PubChem (CID 91608168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).