[1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine

C13H15FN2 — CID 82278328

IUPAC[1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine
SMILESCn1cc(C2(CN)CC2)c2cc(F)ccc21
InChIInChI=1S/C13H15FN2/c1-16-7-11(13(8-15)4-5-13)10-6-9(14)2-3-12(10)16/h2-3,6-7H,4-5,8,15H2,1H3
InChIKeyQRWDAVUIMNWJKC-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.31
Rot. Bonds2

About [1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine

[1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine (PubChem CID 82278328) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is [1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine
PubChem CID82278328
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name[1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine
SMILESCn1cc(C2(CN)CC2)c2cc(F)ccc21
InChIInChI=1S/C13H15FN2/c1-16-7-11(13(8-15)4-5-13)10-6-9(14)2-3-12(10)16/h2-3,6-7H,4-5,8,15H2,1H3
InChIKeyQRWDAVUIMNWJKC-UHFFFAOYSA-N
XLogP2.31
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine (CID 82278328) is [1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine is Cn1cc(C2(CN)CC2)c2cc(F)ccc21.
What is the InChIKey of [1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine?
The InChIKey is QRWDAVUIMNWJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-16-7-11(13(8-15)4-5-13)10-6-9(14)2-3-12(10)16/h2-3,6-7H,4-5,8,15H2,1H3.
What are the key properties of [1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine?
[1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine has a molecular weight of 218.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 82278328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).