[1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine

C14H17FN2 — CID 105491323

IUPAC[1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine
SMILESNCc1cn(CC2CCC2)c2cc(F)ccc12
InChIInChI=1S/C14H17FN2/c15-12-4-5-13-11(7-16)9-17(14(13)6-12)8-10-2-1-3-10/h4-6,9-10H,1-3,7-8,16H2
InChIKeyRXHNYSJUJSSDSV-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.04
Rot. Bonds3

About [1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine

[1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine (PubChem CID 105491323) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is [1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine
PubChem CID105491323
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name[1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine
SMILESNCc1cn(CC2CCC2)c2cc(F)ccc12
InChIInChI=1S/C14H17FN2/c15-12-4-5-13-11(7-16)9-17(14(13)6-12)8-10-2-1-3-10/h4-6,9-10H,1-3,7-8,16H2
InChIKeyRXHNYSJUJSSDSV-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)-6-fluoroindole-3-carboxylic acid
CID 23073204
[1-(cyclobutylmethyl)-7-methylindol-3-yl]methanamine
CID 105485988
[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine
CID 105372683
2-(6-fluoro-1-propylindol-3-yl)ethanamine
CID 54594691
1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole
CID 117178853
(1-ethyl-6-fluoroindol-3-yl)methanethiol
CID 117179129
6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole
CID 84632394
[5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine
CID 63008035
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490
1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine
CID 62378397
[6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine
CID 107913109
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167

Frequently Asked Questions

What is the IUPAC name of [1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine?
The IUPAC name of [1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine (CID 105491323) is [1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine.
What is the SMILES notation for [1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine?
The canonical SMILES for [1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine is NCc1cn(CC2CCC2)c2cc(F)ccc12.
What is the InChIKey of [1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine?
The InChIKey is RXHNYSJUJSSDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-12-4-5-13-11(7-16)9-17(14(13)6-12)8-10-2-1-3-10/h4-6,9-10H,1-3,7-8,16H2.
What are the key properties of [1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine?
[1-(cyclobutylmethyl)-6-fluoroindol-3-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)-6-fluoroindol-3-yl]methanamine is sourced from PubChem (CID 105491323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).