1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid

C11H15FN2O3S — CID 53398780

IUPAC1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid
SMILESCNCc1cc2cc(F)ccc2[nH]1.CS(=O)(=O)O
InChIInChI=1S/C10H11FN2.CH4O3S/c1-12-6-9-5-7-4-8(11)2-3-10(7)13-9;1-5(2,3)4/h2-5,12-13H,6H2,1H3;1H3,(H,2,3,4)
InChIKeyXZAIUGDKSLKTGU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.53
Rot. Bonds2

About 1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid

1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid (PubChem CID 53398780) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid
PubChem CID53398780
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid
SMILESCNCc1cc2cc(F)ccc2[nH]1.CS(=O)(=O)O
InChIInChI=1S/C10H11FN2.CH4O3S/c1-12-6-9-5-7-4-8(11)2-3-10(7)13-9;1-5(2,3)4/h2-5,12-13H,6H2,1H3;1H3,(H,2,3,4)
InChIKeyXZAIUGDKSLKTGU-UHFFFAOYSA-N
XLogP1.53
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-1H-indol-2-yl)-N-methylethanamine
CID 82604676
2-(methylaminomethyl)-1H-indol-5-ol
CID 14906015
N-[(5-fluoro-1H-indol-2-yl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 121495859
methyl 3-(5-fluoro-1H-indol-2-yl)propanoate
CID 68676585
1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol
CID 117195228
1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone
CID 82396041
5-fluoro-2-(2-methylpropyl)-1H-indole
CID 177351441
3-(5-fluoro-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195248
N-[(6-fluoro-1H-indol-2-yl)methyl]ethanamine
CID 117180302
1-(5-fluoro-1H-indol-2-yl)propan-2-amine
CID 10058400
5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole
CID 117176864
2-ethyl-5-methylsulfonyl-1H-indole
CID 139760314

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid?
The IUPAC name of 1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid (CID 53398780) is 1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid.
What is the SMILES notation for 1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid?
The canonical SMILES for 1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid is CNCc1cc2cc(F)ccc2[nH]1.CS(=O)(=O)O.
What is the InChIKey of 1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid?
The InChIKey is XZAIUGDKSLKTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2.CH4O3S/c1-12-6-9-5-7-4-8(11)2-3-10(7)13-9;1-5(2,3)4/h2-5,12-13H,6H2,1H3;1H3,(H,2,3,4).
What are the key properties of 1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid?
1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid has a molecular weight of 274.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid is sourced from PubChem (CID 53398780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).