(5-fluoro-1H-indol-3-yl)methanamine

C9H9FN2 — CID 21281445

IUPAC(5-fluoro-1H-indol-3-yl)methanamine
SMILESNCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C9H9FN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H,4,11H2
InChIKeyLGLWMSAHNFEOHJ-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.77
Rot. Bonds1

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

(5-fluoro-1H-indol-3-yl)methanamine (PubChem CID 21281445) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is (5-fluoro-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1H-indol-3-yl)methanamine
PubChem CID21281445
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name(5-fluoro-1H-indol-3-yl)methanamine
SMILESNCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C9H9FN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H,4,11H2
InChIKeyLGLWMSAHNFEOHJ-UHFFFAOYSA-N
XLogP1.77
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

CID 798
CID 798
CID 6736
CID 6736
CID 1150
CID 1150
CID 6089
CID 6089
CID 6854
CID 6854
CID 3071
CID 3071
CID 6890
CID 6890
CID 64961
CID 64961
CID 9287
CID 9287
CID 6088
CID 6088
CID 107838
CID 107838
CID 44668
CID 44668

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-3-yl)methanamine?
The IUPAC name of (5-fluoro-1H-indol-3-yl)methanamine (CID 21281445) is (5-fluoro-1H-indol-3-yl)methanamine.
What is the SMILES notation for (5-fluoro-1H-indol-3-yl)methanamine?
The canonical SMILES for (5-fluoro-1H-indol-3-yl)methanamine is NCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of (5-fluoro-1H-indol-3-yl)methanamine?
The InChIKey is LGLWMSAHNFEOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H,4,11H2.
What are the key properties of (5-fluoro-1H-indol-3-yl)methanamine?
(5-fluoro-1H-indol-3-yl)methanamine has a molecular weight of 164.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-3-yl)methanamine is sourced from PubChem (CID 21281445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).