cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine

C14H17FN2 — CID 82278982

IUPACcyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine
SMILESCn1cc(C(N)C2CCC2)c2cc(F)ccc21
InChIInChI=1S/C14H17FN2/c1-17-8-12(14(16)9-3-2-4-9)11-7-10(15)5-6-13(11)17/h5-9,14H,2-4,16H2,1H3
InChIKeyZVHCOHLBRQXPBY-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.12
Rot. Bonds2

About cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine

cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine (PubChem CID 82278982) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine
PubChem CID82278982
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Namecyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine
SMILESCn1cc(C(N)C2CCC2)c2cc(F)ccc21
InChIInChI=1S/C14H17FN2/c1-17-8-12(14(16)9-3-2-4-9)11-7-10(15)5-6-13(11)17/h5-9,14H,2-4,16H2,1H3
InChIKeyZVHCOHLBRQXPBY-UHFFFAOYSA-N
XLogP3.12
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(1-methylindol-3-yl)methanamine
CID 67858246
1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 117121009
2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 82278863
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
2-[(R)-amino(cyclobutyl)methyl]-5-fluorophenol
CID 131076706
3-cyclohexyl-5-fluoro-1-methylindole
CID 142650131
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
(S)-cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 171228691
5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole
CID 82279021
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82500619
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine?
The IUPAC name of cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine (CID 82278982) is cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine.
What is the SMILES notation for cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine?
The canonical SMILES for cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine is Cn1cc(C(N)C2CCC2)c2cc(F)ccc21.
What is the InChIKey of cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine?
The InChIKey is ZVHCOHLBRQXPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-17-8-12(14(16)9-3-2-4-9)11-7-10(15)5-6-13(11)17/h5-9,14H,2-4,16H2,1H3.
What are the key properties of cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine?
cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine has a molecular weight of 232.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine is sourced from PubChem (CID 82278982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).