[1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine

C14H17FN2 — CID 105491326

IUPAC[1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine
SMILESNCc1cc2cccc(F)c2n1CC1CCC1
InChIInChI=1S/C14H17FN2/c15-13-6-2-5-11-7-12(8-16)17(14(11)13)9-10-3-1-4-10/h2,5-7,10H,1,3-4,8-9,16H2
InChIKeyXYCYPNSSMHAFHW-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.04
Rot. Bonds3

About [1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine

[1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine (PubChem CID 105491326) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is [1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine
PubChem CID105491326
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name[1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine
SMILESNCc1cc2cccc(F)c2n1CC1CCC1
InChIInChI=1S/C14H17FN2/c15-13-6-2-5-11-7-12(8-16)17(14(11)13)9-10-3-1-4-10/h2,5-7,10H,1,3-4,8-9,16H2
InChIKeyXYCYPNSSMHAFHW-UHFFFAOYSA-N
XLogP3.04
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
CID 105492323
1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid
CID 124926451
1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde
CID 105489323
1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine
CID 62378397
1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine
CID 43662075
[1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol
CID 163440626
2-cyclohexyl-7-fluoro-1-(3-methoxypropyl)indole
CID 91608168
[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine
CID 79549808
[1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine
CID 105491323
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
1-cyclobutyl-7-fluorobenzimidazol-2-amine
CID 84778426
1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide
CID 68696518

Frequently Asked Questions

What is the IUPAC name of [1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine?
The IUPAC name of [1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine (CID 105491326) is [1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine.
What is the SMILES notation for [1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine?
The canonical SMILES for [1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine is NCc1cc2cccc(F)c2n1CC1CCC1.
What is the InChIKey of [1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine?
The InChIKey is XYCYPNSSMHAFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-13-6-2-5-11-7-12(8-16)17(14(11)13)9-10-3-1-4-10/h2,5-7,10H,1,3-4,8-9,16H2.
What are the key properties of [1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine?
[1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine has a molecular weight of 232.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine is sourced from PubChem (CID 105491326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).