cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine

C15H19FN2 — CID 82279350

IUPACcyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine
SMILESCc1[nH]c2ccc(F)cc2c1C(N)C1CCCC1
InChIInChI=1S/C15H19FN2/c1-9-14(15(17)10-4-2-3-5-10)12-8-11(16)6-7-13(12)18-9/h6-8,10,15,18H,2-5,17H2,1H3
InChIKeyHDYMLJPNKFOWHW-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.81
Rot. Bonds2

About cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine

cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine (PubChem CID 82279350) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Namecyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine
PubChem CID82279350
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Namecyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine
SMILESCc1[nH]c2ccc(F)cc2c1C(N)C1CCCC1
InChIInChI=1S/C15H19FN2/c1-9-14(15(17)10-4-2-3-5-10)12-8-11(16)6-7-13(12)18-9/h6-8,10,15,18H,2-5,17H2,1H3
InChIKeyHDYMLJPNKFOWHW-UHFFFAOYSA-N
XLogP3.81
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.81
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

(5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine
CID 82279351
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine
CID 82279356
2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine
CID 84638269
5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole
CID 82024005
cyclopentyl-(2,3,5,6-tetramethylphenyl)methanamine
CID 43110265
cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82279330
cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63068378
(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
CID 28501633
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine
CID 82278982
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine?
The IUPAC name of cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine (CID 82279350) is cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine?
The canonical SMILES for cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine is Cc1[nH]c2ccc(F)cc2c1C(N)C1CCCC1.
What is the InChIKey of cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine?
The InChIKey is HDYMLJPNKFOWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-9-14(15(17)10-4-2-3-5-10)12-8-11(16)6-7-13(12)18-9/h6-8,10,15,18H,2-5,17H2,1H3.
What are the key properties of cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine?
cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine has a molecular weight of 246.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 82279350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).