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

C10H11FN2 — CID 65335308

IUPAC(7-fluoro-2-methyl-1H-indol-3-yl)methanamine
SMILESCc1[nH]c2c(F)cccc2c1CN
InChIInChI=1S/C10H11FN2/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4,13H,5,12H2,1H3
InChIKeySHEHTKSTBWKKSN-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.07
Rot. Bonds1

About (7-fluoro-2-methyl-1H-indol-3-yl)methanamine

(7-fluoro-2-methyl-1H-indol-3-yl)methanamine (PubChem CID 65335308) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is (7-fluoro-2-methyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-2-methyl-1H-indol-3-yl)methanamine
PubChem CID65335308
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name(7-fluoro-2-methyl-1H-indol-3-yl)methanamine
SMILESCc1[nH]c2c(F)cccc2c1CN
InChIInChI=1S/C10H11FN2/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4,13H,5,12H2,1H3
InChIKeySHEHTKSTBWKKSN-UHFFFAOYSA-N
XLogP2.07
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methyl-1H-indol-3-yl)methanamine?
The IUPAC name of (7-fluoro-2-methyl-1H-indol-3-yl)methanamine (CID 65335308) is (7-fluoro-2-methyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for (7-fluoro-2-methyl-1H-indol-3-yl)methanamine?
The canonical SMILES for (7-fluoro-2-methyl-1H-indol-3-yl)methanamine is Cc1[nH]c2c(F)cccc2c1CN.
What is the InChIKey of (7-fluoro-2-methyl-1H-indol-3-yl)methanamine?
The InChIKey is SHEHTKSTBWKKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4,13H,5,12H2,1H3.
What are the key properties of (7-fluoro-2-methyl-1H-indol-3-yl)methanamine?
(7-fluoro-2-methyl-1H-indol-3-yl)methanamine has a molecular weight of 178.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 65335308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).