(3-fluoro-1H-indol-2-yl)methanamine

C9H9FN2 — CID 83853699

IUPAC(3-fluoro-1H-indol-2-yl)methanamine
SMILESNCc1[nH]c2ccccc2c1F
InChIInChI=1S/C9H9FN2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,12H,5,11H2
InChIKeyRECWIIMTUMPUIM-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.77
Rot. Bonds1

About (3-fluoro-1H-indol-2-yl)methanamine

(3-fluoro-1H-indol-2-yl)methanamine (PubChem CID 83853699) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is (3-fluoro-1H-indol-2-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-1H-indol-2-yl)methanamine
PubChem CID83853699
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name(3-fluoro-1H-indol-2-yl)methanamine
SMILESNCc1[nH]c2ccccc2c1F
InChIInChI=1S/C9H9FN2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,12H,5,11H2
InChIKeyRECWIIMTUMPUIM-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

3-fluoro-2-phenyl-1H-indole
CID 141242496
2-(3-bromo-1H-indol-2-yl)ethanamine
CID 84629371
2-(2-aminoethyl)-1H-indol-3-ol
CID 54537889
(3-amino-1H-indol-2-yl)methanol
CID 133058888
[5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine
CID 22763455
9H-carbazole
CID 66668984
[3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 163577022
2-benzyl-1H-indol-3-amine
CID 67876324
9H-carbazol-3-ylmethanamine
CID 42281639
[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
CID 122185830
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1H-indol-2-yl)methanamine?
The IUPAC name of (3-fluoro-1H-indol-2-yl)methanamine (CID 83853699) is (3-fluoro-1H-indol-2-yl)methanamine.
What is the SMILES notation for (3-fluoro-1H-indol-2-yl)methanamine?
The canonical SMILES for (3-fluoro-1H-indol-2-yl)methanamine is NCc1[nH]c2ccccc2c1F.
What is the InChIKey of (3-fluoro-1H-indol-2-yl)methanamine?
The InChIKey is RECWIIMTUMPUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,12H,5,11H2.
What are the key properties of (3-fluoro-1H-indol-2-yl)methanamine?
(3-fluoro-1H-indol-2-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 (3-fluoro-1H-indol-2-yl)methanamine is sourced from PubChem (CID 83853699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).