2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine

C16H21FN2 — CID 84638269

IUPAC2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine
SMILESCc1[nH]c2ccc(F)cc2c1CC1CCCCC1N
InChIInChI=1S/C16H21FN2/c1-10-13(8-11-4-2-3-5-15(11)18)14-9-12(17)6-7-16(14)19-10/h6-7,9,11,15,19H,2-5,8,18H2,1H3
InChIKeyAICLSZVTVHLODM-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.68
Rot. Bonds2

About 2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine

2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 84638269) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine
PubChem CID84638269
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine
SMILESCc1[nH]c2ccc(F)cc2c1CC1CCCCC1N
InChIInChI=1S/C16H21FN2/c1-10-13(8-11-4-2-3-5-15(11)18)14-9-12(17)6-7-16(14)19-10/h6-7,9,11,15,19H,2-5,8,18H2,1H3
InChIKeyAICLSZVTVHLODM-UHFFFAOYSA-N
XLogP3.68
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84632825
5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091795
2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine
CID 84637405
6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632406
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335821
cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine
CID 82279350
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82496402
cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 92754817
2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 61382402
2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102616731
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanone
CID 95975011

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine (CID 84638269) is 2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine is Cc1[nH]c2ccc(F)cc2c1CC1CCCCC1N.
What is the InChIKey of 2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is AICLSZVTVHLODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-10-13(8-11-4-2-3-5-15(11)18)14-9-12(17)6-7-16(14)19-10/h6-7,9,11,15,19H,2-5,8,18H2,1H3.
What are the key properties of 2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine?
2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 260.36 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 84638269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).